3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one

C9H10N2O2 — CID 71449458

IUPAC3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one
SMILESCc1ccc2c([nH]c(=O)n2O)c1C
InChIInChI=1S/C9H10N2O2/c1-5-3-4-7-8(6(5)2)10-9(12)11(7)13/h3-4,13H,1-2H3,(H,10,12)
InChIKeyCWDIWBOCJFCBIJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.18
Rot. Bonds

About 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one

3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one (PubChem CID 71449458) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one
PubChem CID71449458
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one
SMILESCc1ccc2c([nH]c(=O)n2O)c1C
InChIInChI=1S/C9H10N2O2/c1-5-3-4-7-8(6(5)2)10-9(12)11(7)13/h3-4,13H,1-2H3,(H,10,12)
InChIKeyCWDIWBOCJFCBIJ-UHFFFAOYSA-N
XLogP1.18
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 3-hydroxy-6,7-dimethyl-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

5-Methylbenzimidazolone
CID 223134
1H-Naphtho[2,3-d]imidazol-2(3H)-one
CID 13724742
5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 757168
3-hydroxy-7-methyl-1H-benzimidazol-2-one
CID 12501973
1-Methyl-6-(3-nitro-phenyl)-1,3-dihydro-benzoimidazol-2-one
CID 9903502
5-(2,6-Dimethylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656604
5-(aminomethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
CID 16189454
5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one
CID 352271
4-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 12501974
1-Methyl-1H-naphtho[2,3-d]imidazol-2-ol
CID 3245006
5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
CID 71449459
6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one
CID 71460304

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one?
The IUPAC name of 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one (CID 71449458) is 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one is Cc1ccc2c([nH]c(=O)n2O)c1C.
What is the InChIKey of 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one?
The InChIKey is CWDIWBOCJFCBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-3-4-7-8(6(5)2)10-9(12)11(7)13/h3-4,13H,1-2H3,(H,10,12).
What are the key properties of 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one?
3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 71449458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).