5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole

C12H19ClN2 — CID 66150209

IUPAC5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
SMILESCCC1CCC(n2cncc2CCl)CC1
InChIInChI=1S/C12H19ClN2/c1-2-10-3-5-11(6-4-10)15-9-14-8-12(15)7-13/h8-11H,2-7H2,1H3
InChIKeyFGWRTPSCHDZESD-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.76
Rot. Bonds3

About 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole

5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole (PubChem CID 66150209) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
PubChem CID66150209
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
SMILESCCC1CCC(n2cncc2CCl)CC1
InChIInChI=1S/C12H19ClN2/c1-2-10-3-5-11(6-4-10)15-9-14-8-12(15)7-13/h8-11H,2-7H2,1H3
InChIKeyFGWRTPSCHDZESD-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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

5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
5-[5-(chloromethyl)imidazol-1-yl]piperidin-2-one
CID 66151059
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66321921
N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150176
5-chloro-1-cyclopropylimidazole
CID 169168171
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106938573
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole (CID 66150209) is 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole is CCC1CCC(n2cncc2CCl)CC1.
What is the InChIKey of 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole?
The InChIKey is FGWRTPSCHDZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-2-10-3-5-11(6-4-10)15-9-14-8-12(15)7-13/h8-11H,2-7H2,1H3.
What are the key properties of 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole?
5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole has a molecular weight of 226.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole is sourced from PubChem (CID 66150209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).