5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide

C₂₆H₂₉N₇O₂ — CID 24985776

About 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 24985776) has the molecular formula C₂₆H₂₉N₇O₂ and a molecular weight of 471.57 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide
• PubChem CID: 24985776
• Molecular Formula: C₂₆H₂₉N₇O₂
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide
• SMILES: CN(Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1)C1CCCCC1
• InChI: InChI=1S/C26H29N7O2/c1-33(18-10-3-2-4-11-18)15-17-9-5-6-12-19(17)29-24(34)22-23(28-16-27-22)25(35)32-26-30-20-13-7-8-14-21(20)31-26/h5-9,12-14,16,18H,2-4,10-11,15H2,1H3,(H,27,28)(H,29,34)(H2,30,31,32,35)
• InChIKey: OVVWRSIGWDAEPM-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 118.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide?

The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide (CID 24985776) is 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide.

What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide?

The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide is CN(Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1)C1CCCCC1.

What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide?

The InChIKey is OVVWRSIGWDAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-33(18-10-3-2-4-11-18)15-17-9-5-6-12-19(17)29-24(34)22-23(28-16-27-22)25(35)32-26-30-20-13-7-8-14-21(20)31-26/h5-9,12-14,16,18H,2-4,10-11,15H2,1H3,(H,27,28)(H,29,34)(H2,30,31,32,35).

What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide?

5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 471.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24985776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24985776 — identifiers, structure, computed properties (public domain)

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