2-(3-chlorocyclohexyl)-1-ethylimidazole

C11H17ClN2 — CID 64515914

IUPAC2-(3-chlorocyclohexyl)-1-ethylimidazole
SMILESCCn1ccnc1C1CCCC(Cl)C1
InChIInChI=1S/C11H17ClN2/c1-2-14-7-6-13-11(14)9-4-3-5-10(12)8-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyMZSHTEYHHJWQJT-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.17
Rot. Bonds2

About 2-(3-chlorocyclohexyl)-1-ethylimidazole

2-(3-chlorocyclohexyl)-1-ethylimidazole (PubChem CID 64515914) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(3-chlorocyclohexyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(3-chlorocyclohexyl)-1-ethylimidazole
PubChem CID64515914
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-(3-chlorocyclohexyl)-1-ethylimidazole
SMILESCCn1ccnc1C1CCCC(Cl)C1
InChIInChI=1S/C11H17ClN2/c1-2-14-7-6-13-11(14)9-4-3-5-10(12)8-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyMZSHTEYHHJWQJT-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.17
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

1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
CID 175343149
4-(1-ethylimidazol-2-yl)-N-methylpiperidine-2-carboxamide
CID 106779170
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
2-(1-ethylimidazol-2-yl)cycloheptan-1-amine
CID 63968778
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 97133821
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
CID 64742243
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclohexyl)-1-ethylimidazole?
The IUPAC name of 2-(3-chlorocyclohexyl)-1-ethylimidazole (CID 64515914) is 2-(3-chlorocyclohexyl)-1-ethylimidazole.
What is the SMILES notation for 2-(3-chlorocyclohexyl)-1-ethylimidazole?
The canonical SMILES for 2-(3-chlorocyclohexyl)-1-ethylimidazole is CCn1ccnc1C1CCCC(Cl)C1.
What is the InChIKey of 2-(3-chlorocyclohexyl)-1-ethylimidazole?
The InChIKey is MZSHTEYHHJWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-2-14-7-6-13-11(14)9-4-3-5-10(12)8-9/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-(3-chlorocyclohexyl)-1-ethylimidazole?
2-(3-chlorocyclohexyl)-1-ethylimidazole has a molecular weight of 212.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclohexyl)-1-ethylimidazole is sourced from PubChem (CID 64515914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).