1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one

C13H11N3O2 — CID 54708010

IUPAC1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-8-4-10(17)6-13(18)16(8)9-2-3-11-12(5-9)15-7-14-11/h2-7,17H,1H3,(H,14,15)
InChIKeyHTILFTXPWGRPFJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.73
Rot. Bonds1

About 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one

1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54708010) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54708010
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-8-4-10(17)6-13(18)16(8)9-2-3-11-12(5-9)15-7-14-11/h2-7,17H,1H3,(H,14,15)
InChIKeyHTILFTXPWGRPFJ-UHFFFAOYSA-N
XLogP1.73
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-6-methyl-1-(2-methyl-3H-benzimidazol-5-yl)pyridin-2-one
CID 54684907
1-[1-(3H-benzimidazol-5-yl)-4,5-dihydroxy-2-(5-methylfuran-2-yl)pyrrol-3-yl]ethanone
CID 91133535
1-(3H-benzimidazol-5-yl)-5-(2,4-dichlorophenyl)-4-methylpyrrole-2,3-diol
CID 91345204
1-(3H-benzimidazol-5-yl)-5-(2-chloro-3,6-difluorophenyl)-4-methylpyrrole-2,3-diol
CID 90992204
3-(3H-benzimidazol-5-yl)-4-(2-bromo-5-fluorophenyl)-5-hydroxy-1H-imidazol-2-one
CID 90726850
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-5-sulfanyl-1H-imidazol-2-one
CID 91401540
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
3-(3H-benzimidazol-5-yl)-5-hydroxy-4-(4-phenylphenyl)-1H-imidazole-2-thione
CID 91266966
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298
1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
CID 51030777
1-(3H-benzimidazol-5-yl)-5-(3,5-dibromo-4-hydroxyphenyl)-4-ethylpyrrole-2,3-diol
CID 90757569
1-(3H-benzimidazol-5-yl)-4-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2,3-diol
CID 91144999

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one (CID 54708010) is 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is HTILFTXPWGRPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-10(17)6-13(18)16(8)9-2-3-11-12(5-9)15-7-14-11/h2-7,17H,1H3,(H,14,15).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one?
1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54708010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).