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

C20H17N3O — CID 2768941

IUPAC5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1ccccc1Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-14-6-2-3-7-16(14)13-23-18-9-5-4-8-17(18)22-20(23)15-10-11-19(24)21-12-15/h2-12H,13H2,1H3,(H,21,24)
InChIKeySBVBACVFEFYTMT-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.75
Rot. Bonds3

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

5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 2768941) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID2768941
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1ccccc1Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-14-6-2-3-7-16(14)13-23-18-9-5-4-8-17(18)22-20(23)15-10-11-19(24)21-12-15/h2-12H,13H2,1H3,(H,21,24)
InChIKeySBVBACVFEFYTMT-UHFFFAOYSA-N
XLogP3.75
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 2768941) is 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is Cc1ccccc1Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21.
What is the InChIKey of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is SBVBACVFEFYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-6-2-3-7-16(14)13-23-18-9-5-4-8-17(18)22-20(23)15-10-11-19(24)21-12-15/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 2768941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).