N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine

C17H22BrN3 — CID 106557012

IUPACN-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C17H22BrN3/c1-12-10-14(8-9-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20)
InChIKeyHHZMSYMTKQJVSH-UHFFFAOYSA-N
MW348.29 g/mol
LogP5.51
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine

N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106557012) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106557012
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C17H22BrN3/c1-12-10-14(8-9-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20)
InChIKeyHHZMSYMTKQJVSH-UHFFFAOYSA-N
XLogP5.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.29
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106574225
1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
CID 106561849
1-cyclohexyl-N-(2,3-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559968
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
1-cyclopropyl-4-methyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565468
1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
CID 106574142
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107608647
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine (CID 106557012) is N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is HHZMSYMTKQJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-12-10-14(8-9-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 348.29 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106557012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).