1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone

C25H24N6O2S — CID 71679145

About 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone (PubChem CID 71679145) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone
• PubChem CID: 71679145
• Molecular Formula: C25H24N6O2S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.17
• IUPAC Name: 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone
• SMILES: COc1cccc2c1ccn2CC(=O)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C25H24N6O2S/c1-33-21-8-4-7-20-17(21)9-10-31(20)15-22(32)29-11-13-30(14-12-29)25-23(26-16-34-25)24-27-18-5-2-3-6-19(18)28-24/h2-10,16H,11-15H2,1H3,(H,27,28)
• InChIKey: BTZYHIMCHBMSNM-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 79.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone?

The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone (CID 71679145) is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone.

What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone?

The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone is COc1cccc2c1ccn2CC(=O)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone?

The InChIKey is BTZYHIMCHBMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-33-21-8-4-7-20-17(21)9-10-31(20)15-22(32)29-11-13-30(14-12-29)25-23(26-16-34-25)24-27-18-5-2-3-6-19(18)28-24/h2-10,16H,11-15H2,1H3,(H,27,28).

What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone?

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone has a molecular weight of 472.57 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone is sourced from PubChem (CID 71679145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).