2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol

C18H26N2O — CID 62709033

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc2ncn(C3CC(C(C)C)CCC3O)c2cc1C
InChIInChI=1S/C18H26N2O/c1-11(2)14-5-6-18(21)17(9-14)20-10-19-15-7-12(3)13(4)8-16(15)20/h7-8,10-11,14,17-18,21H,5-6,9H2,1-4H3
InChIKeyJWLONWUNODIIQT-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.01
Rot. Bonds2

About 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol

2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62709033) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62709033
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc2ncn(C3CC(C(C)C)CCC3O)c2cc1C
InChIInChI=1S/C18H26N2O/c1-11(2)14-5-6-18(21)17(9-14)20-10-19-15-7-12(3)13(4)8-16(15)20/h7-8,10-11,14,17-18,21H,5-6,9H2,1-4H3
InChIKeyJWLONWUNODIIQT-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 62709033) is 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol is Cc1cc2ncn(C3CC(C(C)C)CCC3O)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JWLONWUNODIIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11(2)14-5-6-18(21)17(9-14)20-10-19-15-7-12(3)13(4)8-16(15)20/h7-8,10-11,14,17-18,21H,5-6,9H2,1-4H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62709033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).