2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H28N2O — CID 55064643

IUPAC2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(n2cnc(C)c2C)C1
InChIInChI=1S/C16H28N2O/c1-6-16(4,5)13-7-8-15(19)14(9-13)18-10-17-11(2)12(18)3/h10,13-15,19H,6-9H2,1-5H3
InChIKeyHLSLXZPFCCICRG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.64
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 55064643) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID55064643
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(n2cnc(C)c2C)C1
InChIInChI=1S/C16H28N2O/c1-6-16(4,5)13-7-8-15(19)14(9-13)18-10-17-11(2)12(18)3/h10,13-15,19H,6-9H2,1-5H3
InChIKeyHLSLXZPFCCICRG-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 55064643) is 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(n2cnc(C)c2C)C1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is HLSLXZPFCCICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-16(4,5)13-7-8-15(19)14(9-13)18-10-17-11(2)12(18)3/h10,13-15,19H,6-9H2,1-5H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 55064643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).