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

C15H13BrClN3 — CID 79505348

IUPAC5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Br)N1c1ccccc1Cl
InChIInChI=1S/C15H13BrClN3/c16-11-6-2-1-5-10(11)14-9-19-15(18)20(14)13-8-4-3-7-12(13)17/h1-8,14H,9H2,(H2,18,19)
InChIKeyADDYZVYMVFTRPS-UHFFFAOYSA-N
MW350.65 g/mol
LogP3.98
Rot. Bonds2

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

5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505348) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505348
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Br)N1c1ccccc1Cl
InChIInChI=1S/C15H13BrClN3/c16-11-6-2-1-5-10(11)14-9-19-15(18)20(14)13-8-4-3-7-12(13)17/h1-8,14H,9H2,(H2,18,19)
InChIKeyADDYZVYMVFTRPS-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 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79505348) is 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccccc2Br)N1c1ccccc1Cl.
What is the InChIKey of 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ADDYZVYMVFTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c16-11-6-2-1-5-10(11)14-9-19-15(18)20(14)13-8-4-3-7-12(13)17/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine?
5-(2-bromophenyl)-1-(2-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 5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).