N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C23H16F3N5O2 — CID 67289782

About N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67289782) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67289782
• Molecular Formula: C23H16F3N5O2
• Molecular Weight: 451.41 g/mol
• Exact Mass: 451.13
• IUPAC Name: N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5O)cc4[nH]3)cn12
• InChI: InChI=1S/C23H16F3N5O2/c1-12-4-2-7-19-27-18(11-31(12)19)21(33)30-22-28-16-9-8-13(10-17(16)29-22)14-5-3-6-15(20(14)32)23(24,25)26/h2-11,32H,1H3,(H2,28,29,30,33)
• InChIKey: QKMBBDAGDMJGEV-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.41
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 67289782) is N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5O)cc4[nH]3)cn12.

What is the InChIKey of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is QKMBBDAGDMJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c1-12-4-2-7-19-27-18(11-31(12)19)21(33)30-22-28-16-9-8-13(10-17(16)29-22)14-5-3-6-15(20(14)32)23(24,25)26/h2-11,32H,1H3,(H2,28,29,30,33).

What are the key properties of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67289782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).