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

C19H14ClN3O — CID 1490189

IUPAC3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-14-9-7-13(8-10-14)12-23-17-6-2-1-5-16(17)22-18(23)15-4-3-11-21-19(15)24/h1-11H,12H2,(H,21,24)
InChIKeyNKRPLAHEGSKBHS-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.09
Rot. Bonds3

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

3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 1490189) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID1490189
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-14-9-7-13(8-10-14)12-23-17-6-2-1-5-16(17)22-18(23)15-4-3-11-21-19(15)24/h1-11H,12H2,(H,21,24)
InChIKeyNKRPLAHEGSKBHS-UHFFFAOYSA-N
XLogP4.09
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 3759652
3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1471042
5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 2768937
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
1-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 175104008
(5Z)-5-[[4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155569623
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 1490189) is 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is NKRPLAHEGSKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-14-9-7-13(8-10-14)12-23-17-6-2-1-5-16(17)22-18(23)15-4-3-11-21-19(15)24/h1-11H,12H2,(H,21,24).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 335.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 1490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).