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

C16H16BrN3 — CID 79515078

IUPAC1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3/c1-11-2-4-12(5-3-11)15-10-19-16(18)20(15)14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyNENKEMGPTGUVBH-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.63
Rot. Bonds2

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

1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79515078) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79515078
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3/c1-11-2-4-12(5-3-11)15-10-19-16(18)20(15)14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyNENKEMGPTGUVBH-UHFFFAOYSA-N
XLogP3.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 79515078) is 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine is Cc1ccc(C2CN=C(N)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NENKEMGPTGUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11-2-4-12(5-3-11)15-10-19-16(18)20(15)14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H2,18,19).
What are the key properties of 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine?
1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 330.23 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79515078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).