2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide

C29H24N6O4 — CID 162717041

About 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide

2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide (PubChem CID 162717041) has the molecular formula C29H24N6O4 and a molecular weight of 520.55 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 162717041
• Molecular Formula: C29H24N6O4
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.19
• IUPAC Name: 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
• InChI: InChI=1S/C29H24N6O4/c1-15-24(16(2)39-34-15)18-11-12-21-20(13-18)26(17-7-4-3-5-8-17)35(29(38)32-21)14-23(36)28-31-22-10-6-9-19(27(30)37)25(22)33-28/h3-13,26H,14H2,1-2H3,(H2,30,37)(H,31,33)(H,32,38)
• InChIKey: LIMLIVTUMOXJTD-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 147.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide (CID 162717041) is 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2.

What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide?

The InChIKey is LIMLIVTUMOXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O4/c1-15-24(16(2)39-34-15)18-11-12-21-20(13-18)26(17-7-4-3-5-8-17)35(29(38)32-21)14-23(36)28-31-22-10-6-9-19(27(30)37)25(22)33-28/h3-13,26H,14H2,1-2H3,(H2,30,37)(H,31,33)(H,32,38).

What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide?

2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 520.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 162717041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).