2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole

C16H27ClN2 — CID 79760431

IUPAC2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole
SMILESCCn1ccnc1CC(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C16H27ClN2/c1-5-19-9-8-18-15(19)11-16(3,4)13-7-6-12(2)10-14(13)17/h8-9,12-14H,5-7,10-11H2,1-4H3
InChIKeyRJVXNYPOTXTDGX-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.52
Rot. Bonds4

About 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole

2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole (PubChem CID 79760431) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole
PubChem CID79760431
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole
SMILESCCn1ccnc1CC(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C16H27ClN2/c1-5-19-9-8-18-15(19)11-16(3,4)13-7-6-12(2)10-14(13)17/h8-9,12-14H,5-7,10-11H2,1-4H3
InChIKeyRJVXNYPOTXTDGX-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.52
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-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79762058
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole
CID 79760953
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
5-methyl-2-[2-(1-propylimidazol-2-yl)propan-2-yl]cyclohexan-1-ol
CID 64766250
[(1-ethylimidazol-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233058
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
N,5-dimethyl-2-[2-(1-propylimidazol-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64764623
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
2-(4-bromo-2,2-dimethylpentyl)-1-ethylimidazole
CID 79762188

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole?
The IUPAC name of 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole (CID 79760431) is 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole.
What is the SMILES notation for 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole?
The canonical SMILES for 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole is CCn1ccnc1CC(C)(C)C1CCC(C)CC1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole?
The InChIKey is RJVXNYPOTXTDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-19-9-8-18-15(19)11-16(3,4)13-7-6-12(2)10-14(13)17/h8-9,12-14H,5-7,10-11H2,1-4H3.
What are the key properties of 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole?
2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole has a molecular weight of 282.86 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole is sourced from PubChem (CID 79760431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).