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

C15H12ClF2N3 — CID 79500440

IUPAC1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2F)N1c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF2N3/c16-9-2-1-3-11(6-9)21-14(8-20-15(21)19)12-5-4-10(17)7-13(12)18/h1-7,14H,8H2,(H2,19,20)
InChIKeyKHDYVONELVGSFY-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.49
Rot. Bonds2

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

1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79500440) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79500440
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2F)N1c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF2N3/c16-9-2-1-3-11(6-9)21-14(8-20-15(21)19)12-5-4-10(17)7-13(12)18/h1-7,14H,8H2,(H2,19,20)
InChIKeyKHDYVONELVGSFY-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 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79500440) is 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(F)cc2F)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is KHDYVONELVGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-9-2-1-3-11(6-9)21-14(8-20-15(21)19)12-5-4-10(17)7-13(12)18/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-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 1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79500440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).