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

C15H13ClN2O — CID 117209046

IUPAC3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(Cc3ccccc3Cl)c12
InChIInChI=1S/C15H13ClN2O/c1-10-5-4-8-13-14(10)18(15(19)17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyGPXOSFFXBMECMD-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.34
Rot. Bonds2

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

3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one (PubChem CID 117209046) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
PubChem CID117209046
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(Cc3ccccc3Cl)c12
InChIInChI=1S/C15H13ClN2O/c1-10-5-4-8-13-14(10)18(15(19)17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyGPXOSFFXBMECMD-UHFFFAOYSA-N
XLogP3.34
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one
CID 117209326
4-chloro-3-[(2-ethylphenyl)methyl]-1H-benzimidazole-2-thione
CID 64695746
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117209050
3-[(2-chlorophenyl)methyl]-4-methyl-1H-imidazole-2-thione
CID 81338482
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
3-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117208821
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one (CID 117209046) is 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(Cc3ccccc3Cl)c12.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The InChIKey is GPXOSFFXBMECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-5-4-8-13-14(10)18(15(19)17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117209046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).