[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol

C12H20N2O — CID 66149976

IUPAC[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol
SMILESCC1CCCC(n2cncc2CO)C1C
InChIInChI=1S/C12H20N2O/c1-9-4-3-5-12(10(9)2)14-8-13-6-11(14)7-15/h6,8-10,12,15H,3-5,7H2,1-2H3
InChIKeyXYZVHFRVFRYRCS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.37
Rot. Bonds2

About [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol

[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol (PubChem CID 66149976) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol
PubChem CID66149976
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol
SMILESCC1CCCC(n2cncc2CO)C1C
InChIInChI=1S/C12H20N2O/c1-9-4-3-5-12(10(9)2)14-8-13-6-11(14)7-15/h6,8-10,12,15H,3-5,7H2,1-2H3
InChIKeyXYZVHFRVFRYRCS-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol (CID 66149976) is [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol is CC1CCCC(n2cncc2CO)C1C.
What is the InChIKey of [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol?
The InChIKey is XYZVHFRVFRYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-4-3-5-12(10(9)2)14-8-13-6-11(14)7-15/h6,8-10,12,15H,3-5,7H2,1-2H3.
What are the key properties of [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol?
[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol has a molecular weight of 208.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylcyclohexyl)imidazol-4-yl]methanol is sourced from PubChem (CID 66149976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).