5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide

C23H20N4O2S — CID 112767789

About 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 112767789) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
• PubChem CID: 112767789
• Molecular Formula: C23H20N4O2S
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.13
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
• SMILES: Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C23H20N4O2S/c1-15-25-16-7-2-4-9-18(16)27(15)14-6-13-24-22(28)19-11-12-20(29-19)23-26-17-8-3-5-10-21(17)30-23/h2-5,7-12H,6,13-14H2,1H3,(H,24,28)
• InChIKey: IEORPGOKYYACAG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide (CID 112767789) is 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide is Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide?

The InChIKey is IEORPGOKYYACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15-25-16-7-2-4-9-18(16)27(15)14-6-13-24-22(28)19-11-12-20(29-19)23-26-17-8-3-5-10-21(17)30-23/h2-5,7-12H,6,13-14H2,1H3,(H,24,28).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 112767789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).