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

C15H16BrF2N3 — CID 106583046

IUPAC1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Br)c(F)cc2F)c(NC2CCCC2)n1
InChIInChI=1S/C15H16BrF2N3/c1-9-8-21(14-6-11(16)12(17)7-13(14)18)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyRBVPERVFNXQJEH-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.58
Rot. Bonds3

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

1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106583046) has the molecular formula C15H16BrF2N3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106583046
Molecular FormulaC15H16BrF2N3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Br)c(F)cc2F)c(NC2CCCC2)n1
InChIInChI=1S/C15H16BrF2N3/c1-9-8-21(14-6-11(16)12(17)7-13(14)18)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyRBVPERVFNXQJEH-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.58
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

1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106583054
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106583039
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine (CID 106583046) is 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(-c2cc(Br)c(F)cc2F)c(NC2CCCC2)n1.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is RBVPERVFNXQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3/c1-9-8-21(14-6-11(16)12(17)7-13(14)18)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106583046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).