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

C19H13BrCl2N6O2 — CID 59349436

IUPAC4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13BrCl2N6O2/c1-8-2-3-9(20)4-12(8)25-17(29)15-16(24-7-23-15)18(30)28-19-26-13-5-10(21)11(22)6-14(13)27-19/h2-7H,1H3,(H,23,24)(H,25,29)(H2,26,27,28,30)
InChIKeySTNHFTFOBFOOGY-UHFFFAOYSA-N
MW508.16 g/mol
LogP5.17
Rot. Bonds4

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

4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 59349436) has the molecular formula C19H13BrCl2N6O2 and a molecular weight of 508.16 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
PubChem CID59349436
Molecular FormulaC19H13BrCl2N6O2
Molecular Weight508.16 g/mol
Exact Mass505.97
IUPAC Name4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13BrCl2N6O2/c1-8-2-3-9(20)4-12(8)25-17(29)15-16(24-7-23-15)18(30)28-19-26-13-5-10(21)11(22)6-14(13)27-19/h2-7H,1H3,(H,23,24)(H,25,29)(H2,26,27,28,30)
InChIKeySTNHFTFOBFOOGY-UHFFFAOYSA-N
XLogP5.17
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.16
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349460
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
5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349426
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
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
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (CID 59349436) is 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is STNHFTFOBFOOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2N6O2/c1-8-2-3-9(20)4-12(8)25-17(29)15-16(24-7-23-15)18(30)28-19-26-13-5-10(21)11(22)6-14(13)27-19/h2-7H,1H3,(H,23,24)(H,25,29)(H2,26,27,28,30).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 508.16 g/mol, XLogP of 5.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 59349436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).