N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C24H19N5O2S — CID 18686024

About N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 18686024) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• PubChem CID: 18686024
• Molecular Formula: C24H19N5O2S
• Molecular Weight: 441.52 g/mol
• Exact Mass: 441.13
• IUPAC Name: N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• SMILES: NC(=O)C(Cc1csc2ccccc12)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1
• InChI: InChI=1S/C24H19N5O2S/c25-22(30)20(12-16-13-32-21-4-2-1-3-17(16)21)29-24(31)15-5-6-18-19(11-15)28-23(27-18)14-7-9-26-10-8-14/h1-11,13,20H,12H2,(H2,25,30)(H,27,28)(H,29,31)
• InChIKey: QPBLFXHRQCFRPN-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 18686024) is N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is NC(=O)C(Cc1csc2ccccc12)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1.

What is the InChIKey of N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The InChIKey is QPBLFXHRQCFRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c25-22(30)20(12-16-13-32-21-4-2-1-3-17(16)21)29-24(31)15-5-6-18-19(11-15)28-23(27-18)14-7-9-26-10-8-14/h1-11,13,20H,12H2,(H2,25,30)(H,27,28)(H,29,31).

What are the key properties of N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18686024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).