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

C25H21F3N4O4 — CID 25063751

IUPAC3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(C(N)=O)c3)c2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C23H20N4O2.C2HF3O2/c1-27-21(29)23(26-22(27)25,18-10-3-2-4-11-18)19-12-6-8-16(14-19)15-7-5-9-17(13-15)20(24)28;3-2(4,5)1(6)7/h2-14H,1H3,(H2,24,28)(H2,25,26);(H,6,7)
InChIKeyKLOKRFFMBSWQFU-UHFFFAOYSA-N
MW498.46 g/mol
LogP3.12
Rot. Bonds4

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

3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 25063751) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID25063751
Molecular FormulaC25H21F3N4O4
Molecular Weight498.46 g/mol
Exact Mass498.15
IUPAC Name3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(C(N)=O)c3)c2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C23H20N4O2.C2HF3O2/c1-27-21(29)23(26-22(27)25,18-10-3-2-4-11-18)19-12-6-8-16(14-19)15-7-5-9-17(13-15)20(24)28;3-2(4,5)1(6)7/h2-14H,1H3,(H2,24,28)(H2,25,26);(H,6,7)
InChIKeyKLOKRFFMBSWQFU-UHFFFAOYSA-N
XLogP3.12
TPSA139.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid;2,2,2-trifluoroacetic acid
CID 69325295
2-amino-5-(2-ethoxy-5-phenylphenyl)-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 175259689
2-amino-5-[3-[3-bromo-5-(trifluoromethoxy)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one
CID 59388140
2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25063755
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate
CID 89115760
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
CID 143463779
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid (CID 25063751) is 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(C(N)=O)c3)c2)N=C1N.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is KLOKRFFMBSWQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C2HF3O2/c1-27-21(29)23(26-22(27)25,18-10-3-2-4-11-18)19-12-6-8-16(14-19)15-7-5-9-17(13-15)20(24)28;3-2(4,5)1(6)7/h2-14H,1H3,(H2,24,28)(H2,25,26);(H,6,7).
What are the key properties of 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 498.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25063751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).