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

C29H26N6O3 — CID 162717039

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

2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 162717039) has the molecular formula C29H26N6O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 162717039
• Molecular Formula: C29H26N6O3
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.21
• IUPAC Name: 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-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)N2C
• InChI: InChI=1S/C29H26N6O3/c1-16-25(17(2)38-33-16)19-12-13-23-21(14-19)27(18-8-5-4-6-9-18)35(29(37)34(23)3)15-24-31-22-11-7-10-20(28(30)36)26(22)32-24/h4-14,27H,15H2,1-3H3,(H2,30,36)(H,31,32)
• InChIKey: JHEWPSFLMCUPRO-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 121.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 162717039) is 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide.

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

The canonical SMILES for 2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-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)N2C.

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

The InChIKey is JHEWPSFLMCUPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3/c1-16-25(17(2)38-33-16)19-12-13-23-21(14-19)27(18-8-5-4-6-9-18)35(29(37)34(23)3)15-24-31-22-11-7-10-20(28(30)36)26(22)32-24/h4-14,27H,15H2,1-3H3,(H2,30,36)(H,31,32).

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

2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 506.57 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 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)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 162717039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).