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Home> Encyclopedia > Hot Product Listed 2   > 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-(4-piperidinyl)-
62212-22-0 structure

2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-(4-piperidinyl)-

Iupac Name:1-methoxy-4-[[(4-methoxyphenyl)methyldiselanyl]methyl]benzene
CAS No.:62212-22-0
Molecular Weight:400.26
Molecular Formula:C8H16O2SI (isomer)
Names and Identifiers
Synonyms

1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one 1-Methyl-3-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one 2-Benzimidazolinone,1-methyl-3-(4-piperidyl)- (7CI) 3-Methyl-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazole-2-one

Inchi
InChI=1S/C16H18O2Se2/c1-17-15-7-3-13(4-8-15)11-19-20-12-14-5-9-16(18-2)10-6-14/h3-10H,11-12H2,1-2H3
InChkey
QSPHZVOKLRCJMM-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C[Se][Se]CC2=CC=C(C=C2)OC
Properties
Appearance
Yellowish solid
Density
1.01
Boiling Point
200 °C(lit.)
Flash Point
181.3 °C
Safety and Handling
Specification

The 4-(2-Keto-3-methyl-1-benzimidazolinyl)piperidine with the cas number 53786-10-0 is also called 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-(4-piperidinyl)-. The IUPAC name is 1-methyl-3-piperidin-4-ylbenzimidazol-2-one. Its molecular formula is C13H17N3O. This chemical is yellowish solid.

The properties of the chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.58 Å2; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 65.625 cm3; (13)Molar Volume: 193.276 cm3; (14)Polarizability: 26.016 ×10-24cm3; (15)Surface Tension: 47.488 dyne/cm; (16)Enthalpy of Vaporization: 60.131 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CN2C(=O)N(C1CCNCC1)c3ccccc23
(2)InChI: InChI=1/C13H17N3O/c1-15-11-4-2-3-5-12(11)16(13(15)17)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
(3)InChIKey: VEWTUUDVRSEVLC-UHFFFAOYAK

Computational chemical data
  • Molecular Weight:400.26g/mol
  • Molecular Formula:C8H16O2SI
  • Compound Is Canonicalized:True
  • Exact Mass:401.964
  • Monoisotopic Mass:401.964
  • Complexity:221
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:+1-(978)-521-6350
 
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