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

C22H23N5O4 — CID 135857679

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

N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135857679) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135857679
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1c(=O)n(C)c2ccccc21
• InChI: InChI=1S/C22H23N5O4/c1-25-17-9-5-6-10-18(17)27(22(25)30)14-20(28)26(11-12-31-2)13-19-23-16-8-4-3-7-15(16)21(29)24-19/h3-10H,11-14H2,1-2H3,(H,23,24,29)
• InChIKey: RGKSXRWHYLKBBP-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 102.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135857679) is N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

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

The canonical SMILES for N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1c(=O)n(C)c2ccccc21.

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

The InChIKey is RGKSXRWHYLKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-25-17-9-5-6-10-18(17)27(22(25)30)14-20(28)26(11-12-31-2)13-19-23-16-8-4-3-7-15(16)21(29)24-19/h3-10H,11-14H2,1-2H3,(H,23,24,29).

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

N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135857679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).