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

C23H25N5O4 — CID 135737950

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

N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135737950) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135737950
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)n(C)c2ccccc21
• InChI: InChI=1S/C23H25N5O4/c1-26-18-9-5-6-10-19(18)28(23(26)31)12-11-21(29)27(13-14-32-2)15-20-24-17-8-4-3-7-16(17)22(30)25-20/h3-10H,11-15H2,1-2H3,(H,24,25,30)
• InChIKey: DHKLIBZEMRINNM-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 102.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135737950) is N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

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

The canonical SMILES for N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)n(C)c2ccccc21.

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

The InChIKey is DHKLIBZEMRINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-26-18-9-5-6-10-19(18)28(23(26)31)12-11-21(29)27(13-14-32-2)15-20-24-17-8-4-3-7-16(17)22(30)25-20/h3-10H,11-15H2,1-2H3,(H,24,25,30).

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

N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 435.48 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135737950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).