N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide

C₂₉H₂₅N₅O₃S — CID 11341428

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 11341428) has the molecular formula C₂₉H₂₅N₅O₃S and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
• PubChem CID: 11341428
• Molecular Formula: C₂₉H₂₅N₅O₃S
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.17
• IUPAC Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCC(N)=O
• InChI: InChI=1S/C29H25N5O3S/c1-33(28(37)20-10-6-3-7-11-20)21-12-13-23-22(18-21)31-29(34(23)17-16-26(30)35)32-27(36)25-15-14-24(38-25)19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H2,30,35)(H,31,32,36)
• InChIKey: DWICUERZWRWRJK-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?

The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide (CID 11341428) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide.

What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?

The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCC(N)=O.

What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?

The InChIKey is DWICUERZWRWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3S/c1-33(28(37)20-10-6-3-7-11-20)21-12-13-23-22(18-21)31-29(34(23)17-16-26(30)35)32-27(36)25-15-14-24(38-25)19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H2,30,35)(H,31,32,36).

What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 11341428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11341428 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.