2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C24H23F2N5O3S — CID 58278843

About 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58278843) has the molecular formula C24H23F2N5O3S and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
• PubChem CID: 58278843
• Molecular Formula: C24H23F2N5O3S
• Molecular Weight: 499.54 g/mol
• Exact Mass: 499.15
• IUPAC Name: 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
• SMILES: O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3C(F)F)nc12
• InChI: InChI=1S/C24H23F2N5O3S/c25-21(26)18-14-15(34-12-9-31-7-10-33-11-8-31)4-5-16(18)22-28-19-3-1-2-17(20(19)29-22)23(32)30-24-27-6-13-35-24/h1-6,13-14,21H,7-12H2,(H,28,29)(H,27,30,32)
• InChIKey: CBQMWZVCRIUAAG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.54
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58278843) is 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

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

The canonical SMILES for 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3C(F)F)nc12.

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

The InChIKey is CBQMWZVCRIUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3S/c25-21(26)18-14-15(34-12-9-31-7-10-33-11-8-31)4-5-16(18)22-28-19-3-1-2-17(20(19)29-22)23(32)30-24-27-6-13-35-24/h1-6,13-14,21H,7-12H2,(H,28,29)(H,27,30,32).

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

2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).