3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

C20H30N2O — CID 94756198

IUPAC3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(CCC3CCCCC3)n(CCCO)c2cc1C
InChIInChI=1S/C20H30N2O/c1-15-13-18-19(14-16(15)2)22(11-6-12-23)20(21-18)10-9-17-7-4-3-5-8-17/h13-14,17,23H,3-12H2,1-2H3
InChIKeyYXLJTCAZXIUNQX-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.55
Rot. Bonds6

About 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (PubChem CID 94756198) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
PubChem CID94756198
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(CCC3CCCCC3)n(CCCO)c2cc1C
InChIInChI=1S/C20H30N2O/c1-15-13-18-19(14-16(15)2)22(11-6-12-23)20(21-18)10-9-17-7-4-3-5-8-17/h13-14,17,23H,3-12H2,1-2H3
InChIKeyYXLJTCAZXIUNQX-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150472
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
CID 82070609
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
CID 93209739
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593824
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
1-[(4-chlorophenyl)methyl]-2-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-5,6-dimethylbenzimidazole
CID 70852846
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209597

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (CID 94756198) is 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is Cc1cc2nc(CCC3CCCCC3)n(CCCO)c2cc1C.
What is the InChIKey of 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The InChIKey is YXLJTCAZXIUNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-13-18-19(14-16(15)2)22(11-6-12-23)20(21-18)10-9-17-7-4-3-5-8-17/h13-14,17,23H,3-12H2,1-2H3.
What are the key properties of 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol has a molecular weight of 314.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 94756198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).