1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

C25H16ClN3O3 — CID 135884674

About 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135884674) has the molecular formula C25H16ClN3O3 and a molecular weight of 441.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
• PubChem CID: 135884674
• Molecular Formula: C25H16ClN3O3
• Molecular Weight: 441.87 g/mol
• Exact Mass: 441.09
• IUPAC Name: 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=C1\C(c2ccccc2)=Nc2ccccc21
• InChI: InChI=1S/C25H16ClN3O3/c26-16-9-6-10-17(13-16)29-24(31)20(23(30)28-25(29)32)14-19-18-11-4-5-12-21(18)27-22(19)15-7-2-1-3-8-15/h1-14,31H,(H,28,30,32)/b19-14-
• InChIKey: NYFMLORLLCCMEB-RGEXLXHISA-N
• XLogP: 4.56
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.87
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135884674) is 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=C1\C(c2ccccc2)=Nc2ccccc21.

What is the InChIKey of 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The InChIKey is NYFMLORLLCCMEB-RGEXLXHISA-N. The full InChI is InChI=1S/C25H16ClN3O3/c26-16-9-6-10-17(13-16)29-24(31)20(23(30)28-25(29)32)14-19-18-11-4-5-12-21(18)27-22(19)15-7-2-1-3-8-15/h1-14,31H,(H,28,30,32)/b19-14-.

What are the key properties of 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 441.87 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135884674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).