4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid

C59H51N17O5 — CID 163642370

About 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid

4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid (PubChem CID 163642370) has the molecular formula C59H51N17O5 and a molecular weight of 1078.17 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid
• PubChem CID: 163642370
• Molecular Formula: C59H51N17O5
• Molecular Weight: 1078.17 g/mol
• Exact Mass: 1077.43
• IUPAC Name: 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid
• SMILES: Cn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.Cn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(=O)c2ccnn2C)cc1.Cn1nccc1C(=O)O.Nc1ccc(-c2nc3ccccc3[nH]2)cc1
• InChI: InChI=1S/C23H19N7O2.C18H15N5O.C13H11N3.C5H6N2O2/c1-28-19(11-13-24-28)22(31)26-16-9-7-15(8-10-16)21-27-17-5-3-4-6-18(17)30(21)23(32)20-12-14-25-29(20)2;1-23-16(10-11-19-23)18(24)20-13-8-6-12(7-9-13)17-21-14-4-2-3-5-15(14)22-17;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;1-7-4(5(8)9)2-3-6-7/h3-14H,1-2H3,(H,26,31);2-11H,1H3,(H,20,24)(H,21,22);1-8H,14H2,(H,15,16);2-3H,1H3,(H,8,9)
• InChIKey: IFJMCBFPLOFEGL-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 285.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1078.17
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid?

The IUPAC name of 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid (CID 163642370) is 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid is Cn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.Cn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(=O)c2ccnn2C)cc1.Cn1nccc1C(=O)O.Nc1ccc(-c2nc3ccccc3[nH]2)cc1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid?

The InChIKey is IFJMCBFPLOFEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2.C18H15N5O.C13H11N3.C5H6N2O2/c1-28-19(11-13-24-28)22(31)26-16-9-7-15(8-10-16)21-27-17-5-3-4-6-18(17)30(21)23(32)20-12-14-25-29(20)2;1-23-16(10-11-19-23)18(24)20-13-8-6-12(7-9-13)17-21-14-4-2-3-5-15(14)22-17;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;1-7-4(5(8)9)2-3-6-7/h3-14H,1-2H3,(H,26,31);2-11H,1H3,(H,20,24)(H,21,22);1-8H,14H2,(H,15,16);2-3H,1H3,(H,8,9).

What are the key properties of 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid?

4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid has a molecular weight of 1078.17 g/mol, XLogP of 9.26, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)aniline;N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[4-[1-(2-methylpyrazole-3-carbonyl)benzimidazol-2-yl]phenyl]pyrazole-3-carboxamide;2-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 163642370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).