N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C25H20N6O2 — CID 53178562

About N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178562) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
• PubChem CID: 53178562
• Molecular Formula: C25H20N6O2
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.16
• IUPAC Name: N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
• SMILES: Cc1ccccc1CNC(=O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
• InChI: InChI=1S/C25H20N6O2/c1-17-8-5-6-11-19(17)14-27-24(32)21-15-31(16-28-21)23-20(12-7-13-26-23)25-29-22(30-33-25)18-9-3-2-4-10-18/h2-13,15-16H,14H2,1H3,(H,27,32)
• InChIKey: WDHHIMOHIKLVNE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The IUPAC name of N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178562) is N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The canonical SMILES for N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is Cc1ccccc1CNC(=O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1.

What is the InChIKey of N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The InChIKey is WDHHIMOHIKLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-17-8-5-6-11-19(17)14-27-24(32)21-15-31(16-28-21)23-20(12-7-13-26-23)25-29-22(30-33-25)18-9-3-2-4-10-18/h2-13,15-16H,14H2,1H3,(H,27,32).

What are the key properties of N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).