3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

C23H18N6O2 — CID 154837809

About 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (PubChem CID 154837809) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
• PubChem CID: 154837809
• Molecular Formula: C23H18N6O2
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.15
• IUPAC Name: 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(-n2ccnc2)c1
• InChI: InChI=1S/C23H18N6O2/c30-22(18-6-4-8-20(14-18)27-12-10-24-16-27)25-19-7-3-5-17(13-19)15-29-23(31)28-11-2-1-9-21(28)26-29/h1-14,16H,15H2,(H,25,30)
• InChIKey: JVCOPMJSQRKYFE-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 86.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The IUPAC name of 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (CID 154837809) is 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The canonical SMILES for 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(-n2ccnc2)c1.

What is the InChIKey of 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The InChIKey is JVCOPMJSQRKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-22(18-6-4-8-20(14-18)27-12-10-24-16-27)25-19-7-3-5-17(13-19)15-29-23(31)28-11-2-1-9-21(28)26-29/h1-14,16H,15H2,(H,25,30).

What are the key properties of 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide has a molecular weight of 410.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 154837809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).