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

C14H12N2O2 — CID 117209156

IUPAC3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(-c3cccc(O)c3)c12
InChIInChI=1S/C14H12N2O2/c1-9-4-2-7-12-13(9)16(14(18)15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,18)
InChIKeyDHWHRDZFEOJNTH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.33
Rot. Bonds1

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

3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one (PubChem CID 117209156) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
PubChem CID117209156
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(-c3cccc(O)c3)c12
InChIInChI=1S/C14H12N2O2/c1-9-4-2-7-12-13(9)16(14(18)15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,18)
InChIKeyDHWHRDZFEOJNTH-UHFFFAOYSA-N
XLogP2.33
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
CID 146175415
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
3-(3-iodophenyl)-4-methyl-1H-benzimidazole-2-thione
CID 113333916
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
CID 175073755

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one (CID 117209156) is 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(-c3cccc(O)c3)c12.
What is the InChIKey of 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one?
The InChIKey is DHWHRDZFEOJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-4-2-7-12-13(9)16(14(18)15-12)10-5-3-6-11(17)8-10/h2-8,17H,1H3,(H,15,18).
What are the key properties of 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one?
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117209156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).