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

C16H19BrFN3 — CID 106574225

IUPACN-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C16H19BrFN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-12-7-8-14(17)15(18)9-12/h7-10,13H,2-6H2,1H3,(H,19,20)
InChIKeyZTOVEHONRNRNLC-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.34
Rot. Bonds3

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

N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106574225) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106574225
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC NameN-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C16H19BrFN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-12-7-8-14(17)15(18)9-12/h7-10,13H,2-6H2,1H3,(H,19,20)
InChIKeyZTOVEHONRNRNLC-UHFFFAOYSA-N
XLogP5.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
CID 106561849
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107608647
1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine
CID 106563755
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
N-(3-chloro-5-fluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107371322
1-cyclopropyl-4-methyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565468
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine (CID 106574225) is N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is ZTOVEHONRNRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-12-7-8-14(17)15(18)9-12/h7-10,13H,2-6H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 352.25 g/mol, XLogP of 5.34, 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-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106574225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).