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

C19H14ClN3O — CID 1473385

IUPAC3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O/c20-14-6-3-5-13(11-14)12-23-17-9-2-1-8-16(17)22-18(23)15-7-4-10-21-19(15)24/h1-11H,12H2,(H,21,24)
InChIKeyUJGMYJBVBUFOLE-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.09
Rot. Bonds3

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

3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 1473385) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID1473385
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O/c20-14-6-3-5-13(11-14)12-23-17-9-2-1-8-16(17)22-18(23)15-7-4-10-21-19(15)24/h1-11H,12H2,(H,21,24)
InChIKeyUJGMYJBVBUFOLE-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 1473385) is 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is UJGMYJBVBUFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-14-6-3-5-13(11-14)12-23-17-9-2-1-8-16(17)22-18(23)15-7-4-10-21-19(15)24/h1-11H,12H2,(H,21,24).
What are the key properties of 3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
3-[1-[(3-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-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 1473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).