5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide

C19H16N6O4S — CID 24985602

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N6O4S/c1-30(28,29)14-9-5-4-8-13(14)22-17(26)15-16(21-10-20-15)18(27)25-19-23-11-6-2-3-7-12(11)24-19/h2-10H,1H3,(H,20,21)(H,22,26)(H2,23,24,25,27)
InChIKeyNVLYHWNBCGNHRM-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.19
Rot. Bonds5

About 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 24985602) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID24985602
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N6O4S/c1-30(28,29)14-9-5-4-8-13(14)22-17(26)15-16(21-10-20-15)18(27)25-19-23-11-6-2-3-7-12(11)24-19/h2-10H,1H3,(H,20,21)(H,22,26)(H2,23,24,25,27)
InChIKeyNVLYHWNBCGNHRM-UHFFFAOYSA-N
XLogP2.19
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 24985602) is 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide is CS(=O)(=O)c1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is NVLYHWNBCGNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-30(28,29)14-9-5-4-8-13(14)22-17(26)15-16(21-10-20-15)18(27)25-19-23-11-6-2-3-7-12(11)24-19/h2-10H,1H3,(H,20,21)(H,22,26)(H2,23,24,25,27).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24985602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).