1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine

C16H15BrFN3 — CID 79501579

IUPAC1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2c2cccc(Br)c2)ccc1F
InChIInChI=1S/C16H15BrFN3/c1-10-7-11(5-6-14(10)18)15-9-20-16(19)21(15)13-4-2-3-12(17)8-13/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyZUJSNEIPVFZWGX-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.77
Rot. Bonds2

About 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79501579) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79501579
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2c2cccc(Br)c2)ccc1F
InChIInChI=1S/C16H15BrFN3/c1-10-7-11(5-6-14(10)18)15-9-20-16(19)21(15)13-4-2-3-12(17)8-13/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyZUJSNEIPVFZWGX-UHFFFAOYSA-N
XLogP3.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 79501579) is 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine is Cc1cc(C2CN=C(N)N2c2cccc(Br)c2)ccc1F.
What is the InChIKey of 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZUJSNEIPVFZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-10-7-11(5-6-14(10)18)15-9-20-16(19)21(15)13-4-2-3-12(17)8-13/h2-8,15H,9H2,1H3,(H2,19,20).
What are the key properties of 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 348.22 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).