4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol

C13H22N2O — CID 114531125

IUPAC4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CCc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-3-5-12(16)11(9-10)4-6-13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyRDGIMVZQSHZEBK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol

4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol (PubChem CID 114531125) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
PubChem CID114531125
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CCc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-3-5-12(16)11(9-10)4-6-13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyRDGIMVZQSHZEBK-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
CID 114531133
4-methyl-2-(2-pyridin-2-ylethyl)cyclohexan-1-ol
CID 79423318
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529463
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
2-[2-(4-bromothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531169
2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 106781510

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol (CID 114531125) is 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol is CC1CCC(O)C(CCc2nccn2C)C1.
What is the InChIKey of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The InChIKey is RDGIMVZQSHZEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-3-5-12(16)11(9-10)4-6-13-14-7-8-15(13)2/h7-8,10-12,16H,3-6,9H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 114531125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).