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

C20H18N6O2 — CID 3110698

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H18N6O2/c1-11-7-8-13(12(2)9-11)23-18(27)16-17(22-10-21-16)19(28)26-20-24-14-5-3-4-6-15(14)25-20/h3-10H,1-2H3,(H,21,22)(H,23,27)(H2,24,25,26,28)
InChIKeyCMBGDFWTTBUOHA-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.41
Rot. Bonds4

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

5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 3110698) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID3110698
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H18N6O2/c1-11-7-8-13(12(2)9-11)23-18(27)16-17(22-10-21-16)19(28)26-20-24-14-5-3-4-6-15(14)25-20/h3-10H,1-2H3,(H,21,22)(H,23,27)(H2,24,25,26,28)
InChIKeyCMBGDFWTTBUOHA-UHFFFAOYSA-N
XLogP3.41
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 3110698) is 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is CMBGDFWTTBUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-11-7-8-13(12(2)9-11)23-18(27)16-17(22-10-21-16)19(28)26-20-24-14-5-3-4-6-15(14)25-20/h3-10H,1-2H3,(H,21,22)(H,23,27)(H2,24,25,26,28).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 3110698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).