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

C15H12ClF2N3 — CID 79499215

IUPAC5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(F)c2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3/c16-12-6-1-9(7-13(12)18)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyHWZGMMHBHRIYOH-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.49
Rot. Bonds2

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

5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499215) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499215
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(F)c2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3/c16-12-6-1-9(7-13(12)18)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyHWZGMMHBHRIYOH-UHFFFAOYSA-N
XLogP3.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79499215) is 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Cl)c(F)c2)N1c1ccc(F)cc1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HWZGMMHBHRIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-12-6-1-9(7-13(12)18)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 307.73 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).