3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol

C18H26N2O — CID 82149547

IUPAC3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
SMILESCc1cc2nc(C3CCCCC3)n(CCCO)c2cc1C
InChIInChI=1S/C18H26N2O/c1-13-11-16-17(12-14(13)2)20(9-6-10-21)18(19-16)15-7-4-3-5-8-15/h11-12,15,21H,3-10H2,1-2H3
InChIKeyZAOHLUJQYTVARD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.08
Rot. Bonds4

About 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol

3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol (PubChem CID 82149547) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
PubChem CID82149547
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
SMILESCc1cc2nc(C3CCCCC3)n(CCCO)c2cc1C
InChIInChI=1S/C18H26N2O/c1-13-11-16-17(12-14(13)2)20(9-6-10-21)18(19-16)15-7-4-3-5-8-15/h11-12,15,21H,3-10H2,1-2H3
InChIKeyZAOHLUJQYTVARD-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756198
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457
3-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)propanethioamide
CID 82149848
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 87516617
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol (CID 82149547) is 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol is Cc1cc2nc(C3CCCCC3)n(CCCO)c2cc1C.
What is the InChIKey of 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is ZAOHLUJQYTVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-11-16-17(12-14(13)2)20(9-6-10-21)18(19-16)15-7-4-3-5-8-15/h11-12,15,21H,3-10H2,1-2H3.
What are the key properties of 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol?
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 82149547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).