2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol

C12H20N2O — CID 62350080

IUPAC2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol
SMILESCc1ncn(C2CC(C)CCC2O)c1C
InChIInChI=1S/C12H20N2O/c1-8-4-5-12(15)11(6-8)14-7-13-9(2)10(14)3/h7-8,11-12,15H,4-6H2,1-3H3
InChIKeyCMUVIXXXJRDYFY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.22
Rot. Bonds1

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

2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol (PubChem CID 62350080) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol
PubChem CID62350080
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol
SMILESCc1ncn(C2CC(C)CCC2O)c1C
InChIInChI=1S/C12H20N2O/c1-8-4-5-12(15)11(6-8)14-7-13-9(2)10(14)3/h7-8,11-12,15H,4-6H2,1-3H3
InChIKeyCMUVIXXXJRDYFY-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.22
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-methylcyclohexan-1-ol?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol (CID 62350080) is 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol is Cc1ncn(C2CC(C)CCC2O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol?
The InChIKey is CMUVIXXXJRDYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-5-12(15)11(6-8)14-7-13-9(2)10(14)3/h7-8,11-12,15H,4-6H2,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol?
2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.22, 1 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-methylcyclohexan-1-ol is sourced from PubChem (CID 62350080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).