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

C13H13BrFN3 — CID 107590742

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1ccnc1NC1CC1
InChIInChI=1S/C13H13BrFN3/c1-8-6-11(15)10(14)7-12(8)18-5-4-16-13(18)17-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17)
InChIKeyWXMYSURGKRPYKO-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.66
Rot. Bonds3

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

1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine (PubChem CID 107590742) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
PubChem CID107590742
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1ccnc1NC1CC1
InChIInChI=1S/C13H13BrFN3/c1-8-6-11(15)10(14)7-12(8)18-5-4-16-13(18)17-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17)
InChIKeyWXMYSURGKRPYKO-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(4-bromophenyl)-N-(4-fluorobenzyl)-1-methyl-1H-imidazol-2-amine
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CID 22693590
1-[3-fluoro-4-(2-methyl-1H-imidazol-1-yl)phenyl]ethan-1-amine
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CID 155923482

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine (CID 107590742) is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine is Cc1cc(F)c(Br)cc1-n1ccnc1NC1CC1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine?
The InChIKey is WXMYSURGKRPYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-8-6-11(15)10(14)7-12(8)18-5-4-16-13(18)17-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine has a molecular weight of 310.17 g/mol, XLogP of 3.66, 3 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-cyclopropylimidazol-2-amine is sourced from PubChem (CID 107590742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).