1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one

C15H13ClN2O — CID 761927

IUPAC1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C15H13ClN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyFQZVTKPJTJNQCN-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.04
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one

1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 761927) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID761927
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C15H13ClN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyFQZVTKPJTJNQCN-UHFFFAOYSA-N
XLogP3.04
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Clodazon
CID 20883
Chlorphine
CID 60561198
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 5276377
5-chloro-3-[(4-isopropylphenyl)methyl]-1H-benzimidazol-2-one
CID 5276381
2H-Benzimidazol-2-one, 6-chloro-1-(cyclohexylmethyl)-1,3-dihydro-
CID 5276384
1-(4-Chloro-benzyl)-3-methyl-1,3-dihydro-benzoimidazol-2-one
CID 761915
1-Benzyl-6-(3-chloro-phenyl)-1,3-dihydro-benzoimidazol-2-one
CID 9884128
6-(3-Chloro-phenyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one
CID 10220791
1-[1''-(2-Chloro-benzyl)-[1,4'']bipiperidinyl-4-yl]-1,3-dihydro-benzoimidazol-2-one
CID 10251795
4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
CID 11529375
7-chloro-3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 130431382
1-(1-(2-chlorobenzyl)piperidin-4-yl)-5-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 130431408

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one (CID 761927) is 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is FQZVTKPJTJNQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 761927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).