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

C15H12BrClFN3 — CID 79499412

IUPAC5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClFN3/c16-9-4-5-12(13(18)6-9)14-8-20-15(19)21(14)11-3-1-2-10(17)7-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyBLMBMWUHIOPVQN-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.12
Rot. Bonds2

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

5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499412) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499412
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClFN3/c16-9-4-5-12(13(18)6-9)14-8-20-15(19)21(14)11-3-1-2-10(17)7-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyBLMBMWUHIOPVQN-UHFFFAOYSA-N
XLogP4.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79499412) is 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Br)cc2F)N1c1cccc(Cl)c1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is BLMBMWUHIOPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c16-9-4-5-12(13(18)6-9)14-8-20-15(19)21(14)11-3-1-2-10(17)7-11/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 368.64 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).