N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C24H23ClN4O3 — CID 55804301

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 55804301) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
• PubChem CID: 55804301
• Molecular Formula: C24H23ClN4O3
• Molecular Weight: 450.93 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
• SMILES: CCn1c(=O)n(CCC(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21
• InChI: InChI=1S/C24H23ClN4O3/c1-2-28-20-9-5-6-10-21(20)29(24(28)32)14-13-22(30)26-18-11-12-23(31)27(16-18)15-17-7-3-4-8-19(17)25/h3-12,16H,2,13-15H2,1H3,(H,26,30)
• InChIKey: AAGZMXKWPJAULB-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 78.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.93
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 55804301) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?

The InChIKey is AAGZMXKWPJAULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-2-28-20-9-5-6-10-21(20)29(24(28)32)14-13-22(30)26-18-11-12-23(31)27(16-18)15-17-7-3-4-8-19(17)25/h3-12,16H,2,13-15H2,1H3,(H,26,30).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 450.93 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55804301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).