3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one

C15H14N2O2 — CID 117206724

IUPAC3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2Cc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2/c1-10-3-2-4-13-14(10)16-15(19)17(13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyBJORMBUYBARAFD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one

3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one (PubChem CID 117206724) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
PubChem CID117206724
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2Cc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2/c1-10-3-2-4-13-14(10)16-15(19)17(13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyBJORMBUYBARAFD-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

Analyze 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117206645
3-(2,2-dimethylpropyl)-7-methyl-1H-benzimidazol-2-one
CID 117206757
1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 107409902
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
3-benzyl-7-propoxy-1H-benzimidazol-2-one
CID 91806779
7-methyl-3-(pyridin-4-ylmethyl)-1H-benzimidazole-2-thione
CID 114041539
3-[(1,1-dioxothian-4-yl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206250
7-methyl-3-(thiolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117206445
3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206708
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one (CID 117206724) is 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one is Cc1cccc2c1[nH]c(=O)n2Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The InChIKey is BJORMBUYBARAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-3-2-4-13-14(10)16-15(19)17(13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
3-[(4-hydroxyphenyl)methyl]-7-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-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117206724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).