1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one

C15H12Cl2N2O — CID 107310149

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C15H12Cl2N2O/c1-18-12-7-2-3-8-13(12)19(15(18)20)9-10-5-4-6-11(16)14(10)17/h2-8H,9H2,1H3
InChIKeyZCTJRIHHNMJESM-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.70
Rot. Bonds2

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

1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 107310149) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID107310149
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C15H12Cl2N2O/c1-18-12-7-2-3-8-13(12)19(15(18)20)9-10-5-4-6-11(16)14(10)17/h2-8H,9H2,1H3
InChIKeyZCTJRIHHNMJESM-UHFFFAOYSA-N
XLogP3.70
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
CID 106869994
1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
3-[(2,3-dichlorophenyl)methyl]-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 118091926
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
3-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576424
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one (CID 107310149) is 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2cccc(Cl)c2Cl)c2ccccc21.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is ZCTJRIHHNMJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-18-12-7-2-3-8-13(12)19(15(18)20)9-10-5-4-6-11(16)14(10)17/h2-8H,9H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 307.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 107310149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).