1-methyl-6-propan-2-ylbenzimidazol-5-ol

C11H14N2O — CID 163425924

IUPAC1-methyl-6-propan-2-ylbenzimidazol-5-ol
SMILESCC(C)c1cc2c(cc1O)ncn2C
InChIInChI=1S/C11H14N2O/c1-7(2)8-4-10-9(5-11(8)14)12-6-13(10)3/h4-7,14H,1-3H3
InChIKeyXYSIDVYJLZFVOO-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-6-propan-2-ylbenzimidazol-5-ol

1-methyl-6-propan-2-ylbenzimidazol-5-ol (PubChem CID 163425924) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylbenzimidazol-5-ol.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylbenzimidazol-5-ol
PubChem CID163425924
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-methyl-6-propan-2-ylbenzimidazol-5-ol
SMILESCC(C)c1cc2c(cc1O)ncn2C
InChIInChI=1S/C11H14N2O/c1-7(2)8-4-10-9(5-11(8)14)12-6-13(10)3/h4-7,14H,1-3H3
InChIKeyXYSIDVYJLZFVOO-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70571502
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CID 58826991
methyl 5,6-di(propan-2-yl)benzimidazole-1-carboxylate
CID 170698928
3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine
CID 46873423
2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol
CID 122542010
2-(3-methylbenzimidazol-5-yl)oxyphenol
CID 141009624
6-chloro-1-methylbenzimidazole-5-carboxamide
CID 112756940
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 138040516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylbenzimidazol-5-ol?
The IUPAC name of 1-methyl-6-propan-2-ylbenzimidazol-5-ol (CID 163425924) is 1-methyl-6-propan-2-ylbenzimidazol-5-ol.
What is the SMILES notation for 1-methyl-6-propan-2-ylbenzimidazol-5-ol?
The canonical SMILES for 1-methyl-6-propan-2-ylbenzimidazol-5-ol is CC(C)c1cc2c(cc1O)ncn2C.
What is the InChIKey of 1-methyl-6-propan-2-ylbenzimidazol-5-ol?
The InChIKey is XYSIDVYJLZFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)8-4-10-9(5-11(8)14)12-6-13(10)3/h4-7,14H,1-3H3.
What are the key properties of 1-methyl-6-propan-2-ylbenzimidazol-5-ol?
1-methyl-6-propan-2-ylbenzimidazol-5-ol has a molecular weight of 190.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylbenzimidazol-5-ol is sourced from PubChem (CID 163425924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).