2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole

C15H25BrN2 — CID 79760953

IUPAC2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole
SMILESCC1CCC(C(C)(C)Cc2nccn2C)C(Br)C1
InChIInChI=1S/C15H25BrN2/c1-11-5-6-12(13(16)9-11)15(2,3)10-14-17-7-8-18(14)4/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyOIZWRYUBRQLAJA-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.19
Rot. Bonds3

About 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole

2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole (PubChem CID 79760953) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole
PubChem CID79760953
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole
SMILESCC1CCC(C(C)(C)Cc2nccn2C)C(Br)C1
InChIInChI=1S/C15H25BrN2/c1-11-5-6-12(13(16)9-11)15(2,3)10-14-17-7-8-18(14)4/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyOIZWRYUBRQLAJA-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.19
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-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole
CID 79760431
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
N-methyl-1-(3-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79762232
1-cyclopropyl-2-(2,2-dimethylpropyl)imidazole
CID 138748973
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
CID 79762189
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole?
The IUPAC name of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole (CID 79760953) is 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole is CC1CCC(C(C)(C)Cc2nccn2C)C(Br)C1.
What is the InChIKey of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole?
The InChIKey is OIZWRYUBRQLAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-11-5-6-12(13(16)9-11)15(2,3)10-14-17-7-8-18(14)4/h7-8,11-13H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole?
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole has a molecular weight of 313.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole is sourced from PubChem (CID 79760953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).