3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one

C15H14N2O2 — CID 117208246

IUPAC3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(Cc3ccccc3O)c2c1
InChIInChI=1S/C15H14N2O2/c1-10-6-7-12-13(8-10)17(15(19)16-12)9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyGJPXZGDZFVGYMV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds2

About 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one

3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one (PubChem CID 117208246) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
PubChem CID117208246
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(Cc3ccccc3O)c2c1
InChIInChI=1S/C15H14N2O2/c1-10-6-7-12-13(8-10)17(15(19)16-12)9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyGJPXZGDZFVGYMV-UHFFFAOYSA-N
XLogP2.39
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208257
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
CID 151899237
3-tert-butyl-5-methyl-1H-benzimidazol-2-one
CID 117208328
3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928810
6-methyl-2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 21444777
3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 114956383
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
3-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44578830
3-butan-2-yl-5-methyl-1H-benzimidazol-2-one
CID 163842228

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one (CID 117208246) is 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(Cc3ccccc3O)c2c1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The InChIKey is GJPXZGDZFVGYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-6-7-12-13(8-10)17(15(19)16-12)9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117208246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).