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

C15H12BrClFN3 — CID 81159732

IUPAC1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(Cl)c2)N1c1ccccc1Br
InChIInChI=1S/C15H12BrClFN3/c16-10-3-1-2-4-13(10)21-14(8-20-15(21)19)9-5-6-12(18)11(17)7-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyDYEUCZLZJZFCMR-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.12
Rot. Bonds2

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

1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 81159732) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID81159732
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(Cl)c2)N1c1ccccc1Br
InChIInChI=1S/C15H12BrClFN3/c16-10-3-1-2-4-13(10)21-14(8-20-15(21)19)9-5-6-12(18)11(17)7-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyDYEUCZLZJZFCMR-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 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 81159732) is 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(F)c(Cl)c2)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DYEUCZLZJZFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c16-10-3-1-2-4-13(10)21-14(8-20-15(21)19)9-5-6-12(18)11(17)7-9/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
1-(2-bromophenyl)-5-(3-chloro-4-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-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 81159732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).