1-hydroxy-2,6-dimethylbenzimidazole

C9H10N2O — CID 45077894

IUPAC1-hydroxy-2,6-dimethylbenzimidazole
SMILESCc1ccc2nc(C)n(O)c2c1
InChIInChI=1S/C9H10N2O/c1-6-3-4-8-9(5-6)11(12)7(2)10-8/h3-5,12H,1-2H3
InChIKeyVEVRNZLPBXGTNG-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.89
Rot. Bonds

About 1-hydroxy-2,6-dimethylbenzimidazole

1-hydroxy-2,6-dimethylbenzimidazole (PubChem CID 45077894) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-hydroxy-2,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-hydroxy-2,6-dimethylbenzimidazole
PubChem CID45077894
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-hydroxy-2,6-dimethylbenzimidazole
SMILESCc1ccc2nc(C)n(O)c2c1
InChIInChI=1S/C9H10N2O/c1-6-3-4-8-9(5-6)11(12)7(2)10-8/h3-5,12H,1-2H3
InChIKeyVEVRNZLPBXGTNG-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-6-methylbenzimidazole-2-carbonitrile
CID 14062537
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 165416489
(1S,2R,3S,4S)-1-(hydroxymethyl)-8-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-2,3,4-triol
CID 102168861
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2-hydroxy-5-methylindazole
CID 142403610
1-hydroxy-6-methylindol-2-ol
CID 123754216
2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
CID 83857993
3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
CID 143260939

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,6-dimethylbenzimidazole?
The IUPAC name of 1-hydroxy-2,6-dimethylbenzimidazole (CID 45077894) is 1-hydroxy-2,6-dimethylbenzimidazole.
What is the SMILES notation for 1-hydroxy-2,6-dimethylbenzimidazole?
The canonical SMILES for 1-hydroxy-2,6-dimethylbenzimidazole is Cc1ccc2nc(C)n(O)c2c1.
What is the InChIKey of 1-hydroxy-2,6-dimethylbenzimidazole?
The InChIKey is VEVRNZLPBXGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-3-4-8-9(5-6)11(12)7(2)10-8/h3-5,12H,1-2H3.
What are the key properties of 1-hydroxy-2,6-dimethylbenzimidazole?
1-hydroxy-2,6-dimethylbenzimidazole has a molecular weight of 162.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,6-dimethylbenzimidazole is sourced from PubChem (CID 45077894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).