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

C18H26N2O3 — CID 94756206

IUPAC3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
SMILESCOc1cc2nc(C3CCCCC3)n(CCCO)c2cc1OC
InChIInChI=1S/C18H26N2O3/c1-22-16-11-14-15(12-17(16)23-2)20(9-6-10-21)18(19-14)13-7-4-3-5-8-13/h11-13,21H,3-10H2,1-2H3
InChIKeyAWGYSZFCYJIHCY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds6

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

3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol (PubChem CID 94756206) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
PubChem CID94756206
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
SMILESCOc1cc2nc(C3CCCCC3)n(CCCO)c2cc1OC
InChIInChI=1S/C18H26N2O3/c1-22-16-11-14-15(12-17(16)23-2)20(9-6-10-21)18(19-14)13-7-4-3-5-8-13/h11-13,21H,3-10H2,1-2H3
InChIKeyAWGYSZFCYJIHCY-UHFFFAOYSA-N
XLogP3.48
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145467
N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 87516617
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756198
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol (CID 94756206) is 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol is COc1cc2nc(C3CCCCC3)n(CCCO)c2cc1OC.
What is the InChIKey of 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
The InChIKey is AWGYSZFCYJIHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-16-11-14-15(12-17(16)23-2)20(9-6-10-21)18(19-14)13-7-4-3-5-8-13/h11-13,21H,3-10H2,1-2H3.
What are the key properties of 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol?
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol has a molecular weight of 318.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 94756206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).