N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C24H20N6O2 — CID 166180424

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 166180424) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
• PubChem CID: 166180424
• Molecular Formula: C24H20N6O2
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.16
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
• SMILES: COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ncn(C)n2)cc1
• InChI: InChI=1S/C24H20N6O2/c1-30-14-25-22(29-30)15-7-9-16(10-8-15)24(31)28-20-13-17(11-12-21(20)32-2)23-26-18-5-3-4-6-19(18)27-23/h3-14H,1-2H3,(H,26,27)(H,28,31)
• InChIKey: HJSAULCESFXRQL-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 166180424) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ncn(C)n2)cc1.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?

The InChIKey is HJSAULCESFXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-30-14-25-22(29-30)15-7-9-16(10-8-15)24(31)28-20-13-17(11-12-21(20)32-2)23-26-18-5-3-4-6-19(18)27-23/h3-14H,1-2H3,(H,26,27)(H,28,31).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 166180424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).