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

C15H13ClFN3 — CID 79514500

IUPAC5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Cl)N1c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c16-13-7-2-1-6-12(13)14-9-19-15(18)20(14)11-5-3-4-10(17)8-11/h1-8,14H,9H2,(H2,18,19)
InChIKeyFAFAAPJUAFKXDJ-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.36
Rot. Bonds2

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

5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514500) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514500
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Cl)N1c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c16-13-7-2-1-6-12(13)14-9-19-15(18)20(14)11-5-3-4-10(17)8-11/h1-8,14H,9H2,(H2,18,19)
InChIKeyFAFAAPJUAFKXDJ-UHFFFAOYSA-N
XLogP3.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79514500) is 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccccc2Cl)N1c1cccc(F)c1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FAFAAPJUAFKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-13-7-2-1-6-12(13)14-9-19-15(18)20(14)11-5-3-4-10(17)8-11/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 289.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).