ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H24N4O6 — CID 55506091

About ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55506091) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 55506091
• Molecular Formula: C24H24N4O6
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.17
• IUPAC Name: ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)Cn2c(=O)n(C)c3ccccc32)NC(=O)NC1c1ccccc1
• InChI: InChI=1S/C24H24N4O6/c1-3-33-22(30)20-16(25-23(31)26-21(20)15-9-5-4-6-10-15)14-34-19(29)13-28-18-12-8-7-11-17(18)27(2)24(28)32/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,31)
• InChIKey: MIFXFLFAMAYWHL-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 120.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55506091) is ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)Cn2c(=O)n(C)c3ccccc32)NC(=O)NC1c1ccccc1.

What is the InChIKey of ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is MIFXFLFAMAYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-3-33-22(30)20-16(25-23(31)26-21(20)15-9-5-4-6-10-15)14-34-19(29)13-28-18-12-8-7-11-17(18)27(2)24(28)32/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,31).

What are the key properties of ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55506091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).