1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

C26H25N7OS — CID 3603098

About 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3603098) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 3603098
• Molecular Formula: C26H25N7OS
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.18
• IUPAC Name: 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2snnc2c1)N1CCC(c2nccn2Cc2nccn2Cc2ccccc2)CC1
• InChI: InChI=1S/C26H25N7OS/c34-26(21-6-7-23-22(16-21)29-30-35-23)31-12-8-20(9-13-31)25-28-11-15-33(25)18-24-27-10-14-32(24)17-19-4-2-1-3-5-19/h1-7,10-11,14-16,20H,8-9,12-13,17-18H2
• InChIKey: BIVYQDKXAMKHSP-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 81.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 3603098) is 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc2snnc2c1)N1CCC(c2nccn2Cc2nccn2Cc2ccccc2)CC1.

What is the InChIKey of 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is BIVYQDKXAMKHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c34-26(21-6-7-23-22(16-21)29-30-35-23)31-12-8-20(9-13-31)25-28-11-15-33(25)18-24-27-10-14-32(24)17-19-4-2-1-3-5-19/h1-7,10-11,14-16,20H,8-9,12-13,17-18H2.

What are the key properties of 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 483.60 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3603098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).