N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

C20H12F2N4O2S — CID 56561159

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 56561159) has the molecular formula C20H12F2N4O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 56561159
• Molecular Formula: C20H12F2N4O2S
• Molecular Weight: 410.41 g/mol
• Exact Mass: 410.06
• IUPAC Name: N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
• SMILES: O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc2nc(C(F)F)[nH]c2c1
• InChI: InChI=1S/C20H12F2N4O2S/c21-17(22)18-23-12-6-5-11(7-13(12)24-18)19(27)26-20-25-14(9-29-20)16-8-10-3-1-2-4-15(10)28-16/h1-9,17H,(H,23,24)(H,25,26,27)
• InChIKey: FVAQBVPGUHFCJI-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.41
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide (CID 56561159) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc2nc(C(F)F)[nH]c2c1.

What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is FVAQBVPGUHFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O2S/c21-17(22)18-23-12-6-5-11(7-13(12)24-18)19(27)26-20-25-14(9-29-20)16-8-10-3-1-2-4-15(10)28-16/h1-9,17H,(H,23,24)(H,25,26,27).

What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).