2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid

C23H19N3O3 — CID 69325296

IUPAC2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid
SMILESCN1C(=O)C(c2ccccc2)(c2c(C(=O)O)cccc2-c2ccccc2)N=C1N
InChIInChI=1S/C23H19N3O3/c1-26-21(29)23(25-22(26)24,16-11-6-3-7-12-16)19-17(15-9-4-2-5-10-15)13-8-14-18(19)20(27)28/h2-14H,1H3,(H2,24,25)(H,27,28)
InChIKeyXJOWSKHNFLAFIK-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid

2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid (PubChem CID 69325296) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid
PubChem CID69325296
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid
SMILESCN1C(=O)C(c2ccccc2)(c2c(C(=O)O)cccc2-c2ccccc2)N=C1N
InChIInChI=1S/C23H19N3O3/c1-26-21(29)23(25-22(26)24,16-11-6-3-7-12-16)19-17(15-9-4-2-5-10-15)13-8-14-18(19)20(27)28/h2-14H,1H3,(H2,24,25)(H,27,28)
InChIKeyXJOWSKHNFLAFIK-UHFFFAOYSA-N
XLogP3.08
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid;2,2,2-trifluoroacetic acid
CID 69325295
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-5-[3-(2,3-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155516817
2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one;methane
CID 158519344
2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
CID 25063649
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
CID 59388755
2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25063755

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid?
The IUPAC name of 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid (CID 69325296) is 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid.
What is the SMILES notation for 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid?
The canonical SMILES for 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid is CN1C(=O)C(c2ccccc2)(c2c(C(=O)O)cccc2-c2ccccc2)N=C1N.
What is the InChIKey of 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid?
The InChIKey is XJOWSKHNFLAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26-21(29)23(25-22(26)24,16-11-6-3-7-12-16)19-17(15-9-4-2-5-10-15)13-8-14-18(19)20(27)28/h2-14H,1H3,(H2,24,25)(H,27,28).
What are the key properties of 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid?
2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid has a molecular weight of 385.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid is sourced from PubChem (CID 69325296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).