5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C19H14Br2N6O2 — CID 59349460

IUPAC5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H14Br2N6O2/c1-9-2-3-10(20)6-13(9)24-17(28)15-16(23-8-22-15)18(29)27-19-25-12-5-4-11(21)7-14(12)26-19/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29)
InChIKeyWEJYMBODOXLGME-UHFFFAOYSA-N
MW518.17 g/mol
LogP4.62
Rot. Bonds4

About 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 59349460) has the molecular formula C19H14Br2N6O2 and a molecular weight of 518.17 g/mol. Its IUPAC name is 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID59349460
Molecular FormulaC19H14Br2N6O2
Molecular Weight518.17 g/mol
Exact Mass515.95
IUPAC Name5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H14Br2N6O2/c1-9-2-3-10(20)6-13(9)24-17(28)15-16(23-8-22-15)18(29)27-19-25-12-5-4-11(21)7-14(12)26-19/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29)
InChIKeyWEJYMBODOXLGME-UHFFFAOYSA-N
XLogP4.62
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.17
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 59349436
4-N-(5-bromo-2-methylphenyl)-5-N-(6-piperidin-4-yloxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 59349520
4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid
CID 68866404
4-N-(5-bromo-2-methylphenyl)-5-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 59349394
tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate
CID 59349400
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349426
2-[[2-[[4-[(2,4-dimethylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]oxy]propanoic acid
CID 66623441
2-[[2-[[4-[(2,4-dimethylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]oxy]-3-methylbutanoic acid
CID 66623500
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
methyl N-[6-[2-[(5-bromo-2-methylphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90833199

Frequently Asked Questions

What is the IUPAC name of 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 59349460) is 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is WEJYMBODOXLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N6O2/c1-9-2-3-10(20)6-13(9)24-17(28)15-16(23-8-22-15)18(29)27-19-25-12-5-4-11(21)7-14(12)26-19/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29).
What are the key properties of 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 518.17 g/mol, XLogP of 4.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 59349460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).