4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

C24H18N2O — CID 576591

IUPAC4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C24H18N2O/c1-15-11-13-17(14-12-15)22-21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23(21)26-24(27)25-22/h2-14,20H,1H3,(H,25,26,27)
InChIKeyJKTYRTLRVAJNQL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.91
Rot. Bonds2

About 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (PubChem CID 576591) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
PubChem CID576591
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C24H18N2O/c1-15-11-13-17(14-12-15)22-21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23(21)26-24(27)25-22/h2-14,20H,1H3,(H,25,26,27)
InChIKeyJKTYRTLRVAJNQL-UHFFFAOYSA-N
XLogP4.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Diphenylpyrimidin-2-ol
CID 619028
4-Phenyl-6-p-tolyl-pyrimidin-2-ol
CID 621547
2-Oxo-4,5-di(4-fluorophenyl)-1,2-dihydro-5H-indeno[1,2-d]pyrimidine
CID 579120
2-Oxo-5-benzyl-4,6-diphenyl-1,2-dihydropyrimidine
CID 630782
6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
CID 71092126
ethane;4-phenyl-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 143447464
2-Oxo-4-phenyl-6-tolylpyrimidine
CID 13021498
4-(p-Isopropyl-phenyl)-6-phenyl-pyrimidin-2(1h)-one
CID 129733592
2-Oxo-4,5-diphenyl-5h-indeno[1,2-d]pyrimidine
CID 129786171
5-Methyl-2-hydroxy-4,6-diphenylpyrimidine
CID 129787166
5-Amino-2-hydroxy-4,6-diphenylpyrimidine
CID 129795614
4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one
CID 46196978

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The IUPAC name of 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (CID 576591) is 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is Cc1ccc(-c2nc(=O)[nH]c3c2C(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The InChIKey is JKTYRTLRVAJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-15-11-13-17(14-12-15)22-21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23(21)26-24(27)25-22/h2-14,20H,1H3,(H,25,26,27).
What are the key properties of 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-phenyl-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is sourced from PubChem (CID 576591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).