N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C28H27N5O3 — CID 135738200

About N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135738200) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135738200
• Molecular Formula: C28H27N5O3
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.21
• IUPAC Name: N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: CCCn1c(=O)n(CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21
• InChI: InChI=1S/C28H27N5O3/c1-2-16-32-23-14-8-9-15-24(23)33(28(32)36)19-26(34)31(17-20-10-4-3-5-11-20)18-25-29-22-13-7-6-12-21(22)27(35)30-25/h3-15H,2,16-19H2,1H3,(H,29,30,35)
• InChIKey: HMOKCYAFBJZLKQ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 92.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135738200) is N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCCn1c(=O)n(CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21.

What is the InChIKey of N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is HMOKCYAFBJZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-2-16-32-23-14-8-9-15-24(23)33(28(32)36)19-26(34)31(17-20-10-4-3-5-11-20)18-25-29-22-13-7-6-12-21(22)27(35)30-25/h3-15H,2,16-19H2,1H3,(H,29,30,35).

What are the key properties of N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 481.56 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135738200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).