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

C26H29N7O2 — CID 24985776

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCN(Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=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)
InChIKeyOVVWRSIGWDAEPM-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.56
Rot. Bonds7

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 Name5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID24985776
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCN(Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=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)
InChIKeyOVVWRSIGWDAEPM-UHFFFAOYSA-N
XLogP4.56
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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).