2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid

C26H20F3N3O4 — CID 25063602

IUPAC2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cc4ccccc4o3)c2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C24H19N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-3-2-4-11-18)19-12-7-9-16(14-19)21-15-17-8-5-6-13-20(17)29-21;3-2(4,5)1(6)7/h2-15H,1H3,(H2,25,26);(H,6,7)
InChIKeyODTSVAPYPBAWDF-UHFFFAOYSA-N
MW495.46 g/mol
LogP4.76
Rot. Bonds3

About 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid

2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid (PubChem CID 25063602) has the molecular formula C26H20F3N3O4 and a molecular weight of 495.46 g/mol. Its IUPAC name is 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
PubChem CID25063602
Molecular FormulaC26H20F3N3O4
Molecular Weight495.46 g/mol
Exact Mass495.14
IUPAC Name2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cc4ccccc4o3)c2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C24H19N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-3-2-4-11-18)19-12-7-9-16(14-19)21-15-17-8-5-6-13-20(17)29-21;3-2(4,5)1(6)7/h2-15H,1H3,(H2,25,26);(H,6,7)
InChIKeyODTSVAPYPBAWDF-UHFFFAOYSA-N
XLogP4.76
TPSA109.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid (CID 25063602) is 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cc4ccccc4o3)c2)N=C1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is ODTSVAPYPBAWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-3-2-4-11-18)19-12-7-9-16(14-19)21-15-17-8-5-6-13-20(17)29-21;3-2(4,5)1(6)7/h2-15H,1H3,(H2,25,26);(H,6,7).
What are the key properties of 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 495.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(1-benzofuran-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25063602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).