2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole

C13H21ClN2 — CID 114531144

IUPAC2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
SMILESCC1CCC(Cl)C(CCc2nccn2C)C1
InChIInChI=1S/C13H21ClN2/c1-10-3-5-12(14)11(9-10)4-6-13-15-7-8-16(13)2/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyNNSOTWJJJKBZJO-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole

2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole (PubChem CID 114531144) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
PubChem CID114531144
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
SMILESCC1CCC(Cl)C(CCc2nccn2C)C1
InChIInChI=1S/C13H21ClN2/c1-10-3-5-12(14)11(9-10)4-6-13-15-7-8-16(13)2/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyNNSOTWJJJKBZJO-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
CID 114531133
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529463
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
2-[2-(4-bromothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531169
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 106781510
azane;1-methyl-2-propylimidazole
CID 174525892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole (CID 114531144) is 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole is CC1CCC(Cl)C(CCc2nccn2C)C1.
What is the InChIKey of 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole?
The InChIKey is NNSOTWJJJKBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-10-3-5-12(14)11(9-10)4-6-13-15-7-8-16(13)2/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole?
2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole has a molecular weight of 240.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 114531144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).