5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C27H23F3N6O — CID 67288941

About 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67288941) has the molecular formula C27H23F3N6O and a molecular weight of 504.52 g/mol. Its IUPAC name is 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67288941
• Molecular Formula: C27H23F3N6O
• Molecular Weight: 504.52 g/mol
• Exact Mass: 504.19
• IUPAC Name: 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(Nc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2[nH]1)c1cn2c(C3CCNCC3)cccc2n1
• InChI: InChI=1S/C27H23F3N6O/c28-27(29,30)19-4-1-3-17(13-19)18-7-8-20-21(14-18)34-26(33-20)35-25(37)22-15-36-23(5-2-6-24(36)32-22)16-9-11-31-12-10-16/h1-8,13-16,31H,9-12H2,(H2,33,34,35,37)
• InChIKey: OOMNLBSBMSBWLC-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 87.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.52
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67288941) is 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2[nH]1)c1cn2c(C3CCNCC3)cccc2n1.

What is the InChIKey of 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is OOMNLBSBMSBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6O/c28-27(29,30)19-4-1-3-17(13-19)18-7-8-20-21(14-18)34-26(33-20)35-25(37)22-15-36-23(5-2-6-24(36)32-22)16-9-11-31-12-10-16/h1-8,13-16,31H,9-12H2,(H2,33,34,35,37).

What are the key properties of 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 504.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67288941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).