(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol

C13H22N2O — CID 66117130

IUPAC(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
SMILESCCC1CCCC(C(O)c2cncn2C)C1
InChIInChI=1S/C13H22N2O/c1-3-10-5-4-6-11(7-10)13(16)12-8-14-9-15(12)2/h8-11,13,16H,3-7H2,1-2H3
InChIKeyJCEWIACTIJUTMU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds3

About (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol

(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 66117130) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
PubChem CID66117130
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
SMILESCCC1CCCC(C(O)c2cncn2C)C1
InChIInChI=1S/C13H22N2O/c1-3-10-5-4-6-11(7-10)13(16)12-8-14-9-15(12)2/h8-11,13,16H,3-7H2,1-2H3
InChIKeyJCEWIACTIJUTMU-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

(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
CID 66130637
cyclopentyl-(3-methylimidazol-4-yl)methanol
CID 66118415
(1,3-diethylpyrazol-5-yl)-(3-ethylcyclohexyl)methanol
CID 105104498
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333
(3-methylimidazol-4-yl)-(thian-3-yl)methanol
CID 164658222
(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol
CID 105104541
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870233
(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943270
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol (CID 66117130) is (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol is CCC1CCCC(C(O)c2cncn2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is JCEWIACTIJUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-10-5-4-6-11(7-10)13(16)12-8-14-9-15(12)2/h8-11,13,16H,3-7H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol?
(3-ethylcyclohexyl)-(3-methylimidazol-4-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)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66117130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).