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

C19H16N6O3 — CID 24984917

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H16N6O3/c1-28-12-8-6-11(7-9-12)22-17(26)15-16(21-10-20-15)18(27)25-19-23-13-4-2-3-5-14(13)24-19/h2-10H,1H3,(H,20,21)(H,22,26)(H2,23,24,25,27)
InChIKeyAZPDZEWFHXUMRE-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.80
Rot. Bonds5

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

5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 24984917) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID24984917
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H16N6O3/c1-28-12-8-6-11(7-9-12)22-17(26)15-16(21-10-20-15)18(27)25-19-23-13-4-2-3-5-14(13)24-19/h2-10H,1H3,(H,20,21)(H,22,26)(H2,23,24,25,27)
InChIKeyAZPDZEWFHXUMRE-UHFFFAOYSA-N
XLogP2.80
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 91532883
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 24984741
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 24984917) is 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is COc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is AZPDZEWFHXUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-28-12-8-6-11(7-9-12)22-17(26)15-16(21-10-20-15)18(27)25-19-23-13-4-2-3-5-14(13)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-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.80, 5 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-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24984917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).