N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine

C15H16BrF2N3 — CID 107608647

IUPACN-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C15H16BrF2N3/c1-9-8-21(10-4-2-3-5-10)15(19-9)20-14-7-12(17)11(16)6-13(14)18/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyWIHPJKJIEZANFX-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.09
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine

N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 107608647) has the molecular formula C15H16BrF2N3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
PubChem CID107608647
Molecular FormulaC15H16BrF2N3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C15H16BrF2N3/c1-9-8-21(10-4-2-3-5-10)15(19-9)20-14-7-12(17)11(16)6-13(14)18/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyWIHPJKJIEZANFX-UHFFFAOYSA-N
XLogP5.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106574225
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106574191
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
N-(3-chloro-5-fluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107371322
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
CID 106561849

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine (CID 107608647) is N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(C2CCCC2)c(Nc2cc(F)c(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is WIHPJKJIEZANFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3/c1-9-8-21(10-4-2-3-5-10)15(19-9)20-14-7-12(17)11(16)6-13(14)18/h6-8,10H,2-5H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 356.21 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 107608647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).