(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol

C13H22N2O — CID 65400333

IUPAC(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
SMILESCCC1CCCC(C(O)c2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-3-10-5-4-6-11(9-10)12(16)13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyGQAOYHUQFXAINO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds3

About (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol

(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 65400333) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
PubChem CID65400333
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
SMILESCCC1CCCC(C(O)c2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-3-10-5-4-6-11(9-10)12(16)13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyGQAOYHUQFXAINO-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
(1,3-diethylpyrazol-5-yl)-(3-ethylcyclohexyl)methanol
CID 105104498
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
CID 66130637
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 139013123

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol (CID 65400333) is (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol is CCC1CCCC(C(O)c2nccn2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is GQAOYHUQFXAINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-10-5-4-6-11(9-10)12(16)13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 222.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 65400333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).