1-(2-chloro-2-cyclohexylethyl)imidazole

C11H17ClN2 — CID 19870508

IUPAC1-(2-chloro-2-cyclohexylethyl)imidazole
SMILESClC(Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C11H17ClN2/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2
InChIKeyWRQCZAOQNRAVLB-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.07
Rot. Bonds3

About 1-(2-chloro-2-cyclohexylethyl)imidazole

1-(2-chloro-2-cyclohexylethyl)imidazole (PubChem CID 19870508) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(2-chloro-2-cyclohexylethyl)imidazole.

Molecular Properties

Compound Name1-(2-chloro-2-cyclohexylethyl)imidazole
PubChem CID19870508
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(2-chloro-2-cyclohexylethyl)imidazole
SMILESClC(Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C11H17ClN2/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2
InChIKeyWRQCZAOQNRAVLB-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.07
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

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1-(cyclooctylmethyl)imidazole
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1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
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1-(1-cyclohexylethyl)imidazole
CID 20574506
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-cyclohexylethyl)imidazole?
The IUPAC name of 1-(2-chloro-2-cyclohexylethyl)imidazole (CID 19870508) is 1-(2-chloro-2-cyclohexylethyl)imidazole.
What is the SMILES notation for 1-(2-chloro-2-cyclohexylethyl)imidazole?
The canonical SMILES for 1-(2-chloro-2-cyclohexylethyl)imidazole is ClC(Cn1ccnc1)C1CCCCC1.
What is the InChIKey of 1-(2-chloro-2-cyclohexylethyl)imidazole?
The InChIKey is WRQCZAOQNRAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2.
What are the key properties of 1-(2-chloro-2-cyclohexylethyl)imidazole?
1-(2-chloro-2-cyclohexylethyl)imidazole has a molecular weight of 212.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-cyclohexylethyl)imidazole is sourced from PubChem (CID 19870508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).