2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol

C12H20N2O — CID 106828317

IUPAC2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2ncc[nH]2)CCCCC1
InChIInChI=1S/C12H20N2O/c1-12(5-3-2-4-6-12)10(15)9-11-13-7-8-14-11/h7-8,10,15H,2-6,9H2,1H3,(H,13,14)
InChIKeyNEEOQPASTAOIJS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.28
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol

2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol (PubChem CID 106828317) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
PubChem CID106828317
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2ncc[nH]2)CCCCC1
InChIInChI=1S/C12H20N2O/c1-12(5-3-2-4-6-12)10(15)9-11-13-7-8-14-11/h7-8,10,15H,2-6,9H2,1H3,(H,13,14)
InChIKeyNEEOQPASTAOIJS-UHFFFAOYSA-N
XLogP2.28
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106826923
1-cyclobutyl-2-(1H-imidazol-2-yl)ethanol
CID 61083393
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
CID 107182298
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
1-ethoxy-2-(1H-imidazol-2-yl)ethanol
CID 166788426
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
2-(2-bromopropyl)-1H-imidazole
CID 61096377
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
2-(1-methylcyclooctyl)-1H-imidazole
CID 90990454
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339
2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 64512570
2-butyl-1H-imidazole;cyclohexane
CID 173413359

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol (CID 106828317) is 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol is CC1(C(O)Cc2ncc[nH]2)CCCCC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol?
The InChIKey is NEEOQPASTAOIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(5-3-2-4-6-12)10(15)9-11-13-7-8-14-11/h7-8,10,15H,2-6,9H2,1H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol?
2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol is sourced from PubChem (CID 106828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).