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

C28H24N6O3 — CID 162717042

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

2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 162717042) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 162717042
• Molecular Formula: C28H24N6O3
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.19
• IUPAC Name: 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
• InChI: InChI=1S/C28H24N6O3/c1-15-24(16(2)37-33-15)18-11-12-21-20(13-18)26(17-7-4-3-5-8-17)34(28(36)31-21)14-23-30-22-10-6-9-19(27(29)35)25(22)32-23/h3-13,26H,14H2,1-2H3,(H2,29,35)(H,30,32)(H,31,36)
• InChIKey: FMSBJUGTJUGWQX-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 130.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 162717042) is 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide.

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

The canonical SMILES for 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2.

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

The InChIKey is FMSBJUGTJUGWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-15-24(16(2)37-33-15)18-11-12-21-20(13-18)26(17-7-4-3-5-8-17)34(28(36)31-21)14-23-30-22-10-6-9-19(27(29)35)25(22)32-23/h3-13,26H,14H2,1-2H3,(H2,29,35)(H,30,32)(H,31,36).

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

2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 162717042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).