N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

C22H25N3OS — CID 42916315

About N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 42916315) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
• PubChem CID: 42916315
• Molecular Formula: C22H25N3OS
• Molecular Weight: 379.53 g/mol
• Exact Mass: 379.17
• IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
• SMILES: CSCCC(NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C22H25N3OS/c1-27-12-11-20(22-24-18-7-2-3-8-19(18)25-22)23-21(26)14-15-9-10-16-5-4-6-17(16)13-15/h2-3,7-10,13,20H,4-6,11-12,14H2,1H3,(H,23,26)(H,24,25)
• InChIKey: DQIPKGYYKIBUAL-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?

The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 42916315) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?

The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is CSCCC(NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?

The InChIKey is DQIPKGYYKIBUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-27-12-11-20(22-24-18-7-2-3-8-19(18)25-22)23-21(26)14-15-9-10-16-5-4-6-17(16)13-15/h2-3,7-10,13,20H,4-6,11-12,14H2,1H3,(H,23,26)(H,24,25).

What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 42916315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).