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

C15H13BrClN3 — CID 79514638

IUPAC1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(Cl)c2)N1c1cccc(Br)c1
InChIInChI=1S/C15H13BrClN3/c16-11-4-2-6-13(8-11)20-14(9-19-15(20)18)10-3-1-5-12(17)7-10/h1-8,14H,9H2,(H2,18,19)
InChIKeyPLIAEZCEZDGTRZ-UHFFFAOYSA-N
MW350.65 g/mol
LogP3.98
Rot. Bonds2

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

1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514638) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514638
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(Cl)c2)N1c1cccc(Br)c1
InChIInChI=1S/C15H13BrClN3/c16-11-4-2-6-13(8-11)20-14(9-19-15(20)18)10-3-1-5-12(17)7-10/h1-8,14H,9H2,(H2,18,19)
InChIKeyPLIAEZCEZDGTRZ-UHFFFAOYSA-N
XLogP3.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 53.98
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-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79514638) is 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccc(Cl)c2)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is PLIAEZCEZDGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c16-11-4-2-6-13(8-11)20-14(9-19-15(20)18)10-3-1-5-12(17)7-10/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 350.65 g/mol, XLogP of 3.98, 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-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).