4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid

C23H18N2O3 — CID 123887335

IUPAC4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
SMILESO=C1N=C(c2ccccc2)C(c2ccccc2)C(c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C23H18N2O3/c26-22(27)18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(24-23(28)25-21)16-9-5-2-6-10-16/h1-14,19,21H,(H,25,28)(H,26,27)
InChIKeyWZQFHCMLNSOKAM-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.42
Rot. Bonds4

About 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid

4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid (PubChem CID 123887335) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
PubChem CID123887335
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
SMILESO=C1N=C(c2ccccc2)C(c2ccccc2)C(c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C23H18N2O3/c26-22(27)18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(24-23(28)25-21)16-9-5-2-6-10-16/h1-14,19,21H,(H,25,28)(H,26,27)
InChIKeyWZQFHCMLNSOKAM-UHFFFAOYSA-N
XLogP4.42
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)-2-(trifluoromethyl)benzoate
CID 123864217
(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CID 99987374
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
4-(4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid
CID 10978198
ethyl 2-oxo-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91071103
4-[(3aS,4R,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 707286
4-[(1S,2S,10R,11S,12S)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-trien-10-yl]benzoic acid
CID 98044163
4-(3,5-dioxopyrazolidin-4-yl)benzoic acid
CID 82392822
4-[6-hydroxy-2-oxo-5-(pyridine-3-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid
CID 3570721
4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 15808935

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid?
The IUPAC name of 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid (CID 123887335) is 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid.
What is the SMILES notation for 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid?
The canonical SMILES for 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid is O=C1N=C(c2ccccc2)C(c2ccccc2)C(c2ccc(C(=O)O)cc2)N1.
What is the InChIKey of 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid?
The InChIKey is WZQFHCMLNSOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-22(27)18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(24-23(28)25-21)16-9-5-2-6-10-16/h1-14,19,21H,(H,25,28)(H,26,27).
What are the key properties of 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid?
4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid is sourced from PubChem (CID 123887335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).