5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one

C19H14ClN3O — CID 2768937

IUPAC5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C19H14ClN3O/c20-15-8-5-13(6-9-15)12-23-17-4-2-1-3-16(17)22-19(23)14-7-10-18(24)21-11-14/h1-11H,12H2,(H,21,24)
InChIKeyVHPGFKIUIOOABO-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.09
Rot. Bonds3

About 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one

5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 2768937) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID2768937
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C19H14ClN3O/c20-15-8-5-13(6-9-15)12-23-17-4-2-1-3-16(17)22-19(23)14-7-10-18(24)21-11-14/h1-11H,12H2,(H,21,24)
InChIKeyVHPGFKIUIOOABO-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

5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 136577815
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1490189
(5Z)-5-[[4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155569623
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
1-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 175104008
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 2768937) is 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is O=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is VHPGFKIUIOOABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-15-8-5-13(6-9-15)12-23-17-4-2-1-3-16(17)22-19(23)14-7-10-18(24)21-11-14/h1-11H,12H2,(H,21,24).
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
5-[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 5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 2768937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).