N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

C25H21N5O2S — CID 55338192

About N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 55338192) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
• PubChem CID: 55338192
• Molecular Formula: C25H21N5O2S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.14
• IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
• SMILES: O=C(Cn1c(=O)cnc2ccccc21)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
• InChI: InChI=1S/C25H21N5O2S/c31-21(14-30-19-11-5-4-10-18(19)26-13-22(30)32)29-25-23(15-7-1-6-12-20(15)33-25)24-27-16-8-2-3-9-17(16)28-24/h2-5,8-11,13H,1,6-7,12,14H2,(H,27,28)(H,29,31)
• InChIKey: LHFMLSTVWOZXRG-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?

The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 55338192) is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?

The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2.

What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?

The InChIKey is LHFMLSTVWOZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c31-21(14-30-19-11-5-4-10-18(19)26-13-22(30)32)29-25-23(15-7-1-6-12-20(15)33-25)24-27-16-8-2-3-9-17(16)28-24/h2-5,8-11,13H,1,6-7,12,14H2,(H,27,28)(H,29,31).

What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?

N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 455.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 55338192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).