2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one

C15H11ClFN3O — CID 141178291

IUPAC2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc(F)c(-c3cccc(Cl)c3)c2)C(=O)N1
InChIInChI=1S/C15H11ClFN3O/c16-10-3-1-2-8(6-10)11-7-9(4-5-12(11)17)13-14(21)20-15(18)19-13/h1-7,13H,(H3,18,19,20,21)
InChIKeyVZZDVPKWPXXKSU-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.63
Rot. Bonds2

About 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one

2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one (PubChem CID 141178291) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one
PubChem CID141178291
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc(F)c(-c3cccc(Cl)c3)c2)C(=O)N1
InChIInChI=1S/C15H11ClFN3O/c16-10-3-1-2-8(6-10)11-7-9(4-5-12(11)17)13-14(21)20-15(18)19-13/h1-7,13H,(H3,18,19,20,21)
InChIKeyVZZDVPKWPXXKSU-UHFFFAOYSA-N
XLogP2.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one (CID 141178291) is 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one is NC1=NC(c2ccc(F)c(-c3cccc(Cl)c3)c2)C(=O)N1.
What is the InChIKey of 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is VZZDVPKWPXXKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-10-3-1-2-8(6-10)11-7-9(4-5-12(11)17)13-14(21)20-15(18)19-13/h1-7,13H,(H3,18,19,20,21).
What are the key properties of 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one?
2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 303.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 141178291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).