2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole

C12H19ClN2 — CID 114531139

IUPAC2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1CCCCC1Cl
InChIInChI=1S/C12H19ClN2/c1-15-9-8-14-12(15)7-6-10-4-2-3-5-11(10)13/h8-11H,2-7H2,1H3
InChIKeySVHQNCARBODHLW-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole

2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole (PubChem CID 114531139) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
PubChem CID114531139
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1CCCCC1Cl
InChIInChI=1S/C12H19ClN2/c1-15-9-8-14-12(15)7-6-10-4-2-3-5-11(10)13/h8-11H,2-7H2,1H3
InChIKeySVHQNCARBODHLW-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.15
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

2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
CID 114531133
2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
CID 79762031
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-[2-(4-bromothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531169
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole (CID 114531139) is 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole is Cn1ccnc1CCC1CCCCC1Cl.
What is the InChIKey of 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole?
The InChIKey is SVHQNCARBODHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-15-9-8-14-12(15)7-6-10-4-2-3-5-11(10)13/h8-11H,2-7H2,1H3.
What are the key properties of 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole?
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole has a molecular weight of 226.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 114531139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).