2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one

C20H17ClF3N3O — CID 59387596

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C20H17ClF3N3O/c21-16-6-2-4-13(10-16)12-3-1-5-15(9-12)20(14-7-8-14)17(28)27(18(25)26-20)11-19(22,23)24/h1-6,9-10,14H,7-8,11H2,(H2,25,26)
InChIKeyIKHGXDBWMWTYRC-UHFFFAOYSA-N
MW407.82 g/mol
LogP4.33
Rot. Bonds4

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one (PubChem CID 59387596) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
PubChem CID59387596
Molecular FormulaC20H17ClF3N3O
Molecular Weight407.82 g/mol
Exact Mass407.10
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C20H17ClF3N3O/c21-16-6-2-4-13(10-16)12-3-1-5-15(9-12)20(14-7-8-14)17(28)27(18(25)26-20)11-19(22,23)24/h1-6,9-10,14H,7-8,11H2,(H2,25,26)
InChIKeyIKHGXDBWMWTYRC-UHFFFAOYSA-N
XLogP4.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one (CID 59387596) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one?
The InChIKey is IKHGXDBWMWTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c21-16-6-2-4-13(10-16)12-3-1-5-15(9-12)20(14-7-8-14)17(28)27(18(25)26-20)11-19(22,23)24/h1-6,9-10,14H,7-8,11H2,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one has a molecular weight of 407.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2,2,2-trifluoroethyl)imidazol-4-one is sourced from PubChem (CID 59387596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).