1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine

C14H17BrFN3 — CID 107590771

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C14H17BrFN3/c1-3-4-5-17-14-18-6-7-19(14)13-9-11(15)12(16)8-10(13)2/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyQEXARJWWYRWXMT-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.29
Rot. Bonds5

About 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine

1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine (PubChem CID 107590771) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
PubChem CID107590771
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C14H17BrFN3/c1-3-4-5-17-14-18-6-7-19(14)13-9-11(15)12(16)8-10(13)2/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyQEXARJWWYRWXMT-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 107590742
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine (CID 107590771) is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine is CCCCNc1nccn1-c1cc(Br)c(F)cc1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine?
The InChIKey is QEXARJWWYRWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-4-5-17-14-18-6-7-19(14)13-9-11(15)12(16)8-10(13)2/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine has a molecular weight of 326.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine is sourced from PubChem (CID 107590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).