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

C28H24N6O3S — CID 11237786

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 11237786) has the molecular formula C28H24N6O3S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
• PubChem CID: 11237786
• Molecular Formula: C28H24N6O3S
• Molecular Weight: 524.61 g/mol
• Exact Mass: 524.16
• IUPAC Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccn3)s1)n2CCC(N)=O
• InChI: InChI=1S/C28H24N6O3S/c1-33(27(37)18-7-3-2-4-8-18)19-10-11-22-21(17-19)31-28(34(22)16-14-25(29)35)32-26(36)24-13-12-23(38-24)20-9-5-6-15-30-20/h2-13,15,17H,14,16H2,1H3,(H2,29,35)(H,31,32,36)
• InChIKey: JEGQJSKRWOBVEP-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 11237786) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

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

The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccn3)s1)n2CCC(N)=O.

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

The InChIKey is JEGQJSKRWOBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3S/c1-33(27(37)18-7-3-2-4-8-18)19-10-11-22-21(17-19)31-28(34(22)16-14-25(29)35)32-26(36)24-13-12-23(38-24)20-9-5-6-15-30-20/h2-13,15,17H,14,16H2,1H3,(H2,29,35)(H,31,32,36).

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 524.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 11237786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).