1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one

C15H13ClN2O — CID 761915

IUPAC1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H13ClN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyTWIHGMLZOVLBAW-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.04
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one

1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 761915) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID761915
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H13ClN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyTWIHGMLZOVLBAW-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one (CID 761915) is 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is TWIHGMLZOVLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(4-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-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 761915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).