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

C15H17BrFN3 — CID 106582277

IUPAC1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
SMILESCc1cc(Br)c(F)cc1-n1ccnc1NC1CCCC1
InChIInChI=1S/C15H17BrFN3/c1-10-8-12(16)13(17)9-14(10)20-7-6-18-15(20)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,18,19)
InChIKeyLERDJMWYSTTZHO-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.44
Rot. Bonds3

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

1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine (PubChem CID 106582277) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
PubChem CID106582277
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
SMILESCc1cc(Br)c(F)cc1-n1ccnc1NC1CCCC1
InChIInChI=1S/C15H17BrFN3/c1-10-8-12(16)13(17)9-14(10)20-7-6-18-15(20)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,18,19)
InChIKeyLERDJMWYSTTZHO-UHFFFAOYSA-N
XLogP4.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine (CID 106582277) is 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine is Cc1cc(Br)c(F)cc1-n1ccnc1NC1CCCC1.
What is the InChIKey of 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine?
The InChIKey is LERDJMWYSTTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-10-8-12(16)13(17)9-14(10)20-7-6-18-15(20)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine?
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine is sourced from PubChem (CID 106582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).