4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one

C15H14N2O2 — CID 117209097

IUPAC4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3cccc(O)c32)cc1
InChIInChI=1S/C15H14N2O2/c1-10-5-7-11(8-6-10)9-17-14-12(16-15(17)19)3-2-4-13(14)18/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyREGYZTAGBIIXMF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds2

About 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one

4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117209097) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117209097
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3cccc(O)c32)cc1
InChIInChI=1S/C15H14N2O2/c1-10-5-7-11(8-6-10)9-17-14-12(16-15(17)19)3-2-4-13(14)18/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyREGYZTAGBIIXMF-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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one (CID 117209097) is 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one is Cc1ccc(Cn2c(=O)[nH]c3cccc(O)c32)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is REGYZTAGBIIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-5-7-11(8-6-10)9-17-14-12(16-15(17)19)3-2-4-13(14)18/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one?
4-hydroxy-3-[(4-methylphenyl)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 4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117209097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).