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

C13H22N2O — CID 65393926

IUPAC(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
SMILESCCC1CCC(C(O)c2nccn2C)CC1
InChIInChI=1S/C13H22N2O/c1-3-10-4-6-11(7-5-10)12(16)13-14-8-9-15(13)2/h8-12,16H,3-7H2,1-2H3
InChIKeyVGQUIXAEULCZFK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds3

About (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol

(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 65393926) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
PubChem CID65393926
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
SMILESCCC1CCC(C(O)c2nccn2C)CC1
InChIInChI=1S/C13H22N2O/c1-3-10-4-6-11(7-5-10)12(16)13-14-8-9-15(13)2/h8-12,16H,3-7H2,1-2H3
InChIKeyVGQUIXAEULCZFK-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-propylimidazol-2-yl)methanol
CID 65393927
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124757025

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol (CID 65393926) is (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol is CCC1CCC(C(O)c2nccn2C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is VGQUIXAEULCZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-10-4-6-11(7-5-10)12(16)13-14-8-9-15(13)2/h8-12,16H,3-7H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol?
(4-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 (4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 65393926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).