4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride

C56H43Br6Cl2N19O6 — CID 160794395

IUPAC4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride
SMILESCc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1.Nc1ccc(Br)cc1N.Nc1nc2ccc(Br)cc2[nH]1.Nc1nc2ccc(Br)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12
InChIInChI=1S/C19H14Br2N6O2.C10H2Cl2N4O4.2C7H6BrN3.C7H8BrN.C6H7BrN2/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;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;2*8-4-1-2-5-6(3-4)11-7(9)10-5;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8)6(9)3-4/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29);1-2H;2*1-3H,(H3,9,10,11);2-4H,9H2,1H3;1-3H,8-9H2
InChIKeySCGAVDCCQHRNGH-UHFFFAOYSA-N
MW1628.42 g/mol
LogP12.29
Rot. Bonds6

About 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride

4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride (PubChem CID 160794395) has the molecular formula C56H43Br6Cl2N19O6 and a molecular weight of 1628.42 g/mol. Its IUPAC name is 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride.

Molecular Properties

Compound Name4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride
PubChem CID160794395
Molecular FormulaC56H43Br6Cl2N19O6
Molecular Weight1628.42 g/mol
Exact Mass1620.81
IUPAC Name4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride
SMILESCc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1.Nc1ccc(Br)cc1N.Nc1nc2ccc(Br)cc2[nH]1.Nc1nc2ccc(Br)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12
InChIInChI=1S/C19H14Br2N6O2.C10H2Cl2N4O4.2C7H6BrN3.C7H8BrN.C6H7BrN2/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;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;2*8-4-1-2-5-6(3-4)11-7(9)10-5;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8)6(9)3-4/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29);1-2H;2*1-3H,(H3,9,10,11);2-4H,9H2,1H3;1-3H,8-9H2
InChIKeySCGAVDCCQHRNGH-UHFFFAOYSA-N
XLogP12.29
TPSA405.90 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001628.42
LogP ≤ 512.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride?
The IUPAC name of 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride (CID 160794395) is 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride.
What is the SMILES notation for 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride?
The canonical SMILES for 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride is Cc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Br)cc2[nH]1.Nc1ccc(Br)cc1N.Nc1nc2ccc(Br)cc2[nH]1.Nc1nc2ccc(Br)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12.
What is the InChIKey of 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride?
The InChIKey is SCGAVDCCQHRNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N6O2.C10H2Cl2N4O4.2C7H6BrN3.C7H8BrN.C6H7BrN2/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;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;2*8-4-1-2-5-6(3-4)11-7(9)10-5;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8)6(9)3-4/h2-8H,1H3,(H,22,23)(H,24,28)(H2,25,26,27,29);1-2H;2*1-3H,(H3,9,10,11);2-4H,9H2,1H3;1-3H,8-9H2.
What are the key properties of 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride?
4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride has a molecular weight of 1628.42 g/mol, XLogP of 12.29, 6 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzene-1,2-diamine;bis(6-bromo-1H-benzimidazol-2-amine);5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide;5-bromo-2-methylaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride is sourced from PubChem (CID 160794395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).