5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C25H20F3N5O2S — CID 46911118

About 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 46911118) has the molecular formula C25H20F3N5O2S and a molecular weight of 511.53 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
• PubChem CID: 46911118
• Molecular Formula: C25H20F3N5O2S
• Molecular Weight: 511.53 g/mol
• Exact Mass: 511.13
• IUPAC Name: 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
• SMILES: C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C25H20F3N5O2S/c1-14(17-5-3-4-6-18(17)25(26,27)28)35-21-10-22(36-23(21)24(29)34)33-13-30-19-9-15(7-8-20(19)33)16-11-31-32(2)12-16/h3-14H,1-2H3,(H2,29,34)/t14-/m1/s1
• InChIKey: PWEVQXOSGNAHIQ-CQSZACIVSA-N
• XLogP: 5.75
• TPSA: 87.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.53
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 46911118) is 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F.

What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The InChIKey is PWEVQXOSGNAHIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H20F3N5O2S/c1-14(17-5-3-4-6-18(17)25(26,27)28)35-21-10-22(36-23(21)24(29)34)33-13-30-19-9-15(7-8-20(19)33)16-11-31-32(2)12-16/h3-14H,1-2H3,(H2,29,34)/t14-/m1/s1.

What are the key properties of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 511.53 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 46911118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).