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

C15H12BrClFN3 — CID 114455180

IUPAC1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(F)cc(Cl)c2)N1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFN3/c16-10-1-3-13(4-2-10)21-14(8-20-15(21)19)9-5-11(17)7-12(18)6-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyWKWLFAHYIDTHLD-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.12
Rot. Bonds2

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

1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 114455180) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID114455180
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(F)cc(Cl)c2)N1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFN3/c16-10-1-3-13(4-2-10)21-14(8-20-15(21)19)9-5-11(17)7-12(18)6-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyWKWLFAHYIDTHLD-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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Related Compounds

5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 106534625
1-(4-bromophenyl)-5-(4-chloro-3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79501565
5-(3-chloro-5-fluorophenyl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114455184
5-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79501280
5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 114455170
1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521542
1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79515078
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500344
1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
CID 79514030
1-(3-bromophenyl)-5-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514638
1-(4-chlorophenyl)-5-(3-fluoro-4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79501134
1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79502211

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 114455180) is 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(F)cc(Cl)c2)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WKWLFAHYIDTHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c16-10-1-3-13(4-2-10)21-14(8-20-15(21)19)9-5-11(17)7-12(18)6-9/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine?
1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-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 1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114455180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).