5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium

C113H141Br2Cl2FN31O24Pd- — CID 158961706

IUPAC5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.Cc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12.O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/C29H33BrN8O4.2C17H25N5O2.C16H22N4O6.C10H2Cl2N4O4.C10H20N2O2.C7H8BrN.C6H3FN2O4.CH3.Pd/c1-16-6-7-18(30)12-21(16)33-25(39)23-24(32-15-31-23)26(40)36-27-34-20-9-8-19(13-22(20)35-27)38-11-10-37(14-17(38)2)28(41)42-29(3,4)5;2*1-11-10-21(16(23)24-17(2,3)4)7-8-22(11)12-5-6-13-14(9-12)20-15(18)19-13;1-11-10-17(15(21)26-16(2,3)4)7-8-18(11)12-5-6-13(19(22)23)14(9-12)20(24)25;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8(10)11)6(3-4)9(12)13;;/h6-9,12-13,15,17H,10-11,14H2,1-5H3,(H,31,32)(H,33,39)(H2,34,35,36,40);2*5-6,9,11H,7-8,10H2,1-4H3,(H3,18,19,20);5-6,9,11H,7-8,10H2,1-4H3;1-2H;8,11H,5-7H2,1-4H3;2-4H,9H2,1H3;1-3H;1H3;/q;;;;;;;;-1;
InChIKeyGPGHMOYWGORNLY-UHFFFAOYSA-N
MW2673.70 g/mol
LogP18.98
Rot. Bonds14

About 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium

5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium (PubChem CID 158961706) has the molecular formula C113H141Br2Cl2FN31O24Pd- and a molecular weight of 2673.70 g/mol. Its IUPAC name is 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium.

Molecular Properties

Compound Name5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium
PubChem CID158961706
Molecular FormulaC113H141Br2Cl2FN31O24Pd-
Molecular Weight2673.70 g/mol
Exact Mass2668.75
IUPAC Name5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.Cc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12.O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/C29H33BrN8O4.2C17H25N5O2.C16H22N4O6.C10H2Cl2N4O4.C10H20N2O2.C7H8BrN.C6H3FN2O4.CH3.Pd/c1-16-6-7-18(30)12-21(16)33-25(39)23-24(32-15-31-23)26(40)36-27-34-20-9-8-19(13-22(20)35-27)38-11-10-37(14-17(38)2)28(41)42-29(3,4)5;2*1-11-10-21(16(23)24-17(2,3)4)7-8-22(11)12-5-6-13-14(9-12)20-15(18)19-13;1-11-10-17(15(21)26-16(2,3)4)7-8-18(11)12-5-6-13(19(22)23)14(9-12)20(24)25;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8(10)11)6(3-4)9(12)13;;/h6-9,12-13,15,17H,10-11,14H2,1-5H3,(H,31,32)(H,33,39)(H2,34,35,36,40);2*5-6,9,11H,7-8,10H2,1-4H3,(H3,18,19,20);5-6,9,11H,7-8,10H2,1-4H3;1-2H;8,11H,5-7H2,1-4H3;2-4H,9H2,1H3;1-3H;1H3;/q;;;;;;;;-1;
InChIKeyGPGHMOYWGORNLY-UHFFFAOYSA-N
XLogP18.98
TPSA699.11 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002673.70
LogP ≤ 518.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium with MolForge

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Related Compounds

5-bromo-2-methylaniline;4-N-(5-bromo-2-methylphenyl)-5-N-(6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluorobenzene-1,2-diamine;bis(6-fluoro-1H-benzimidazol-2-amine)
CID 157136172
5-bromo-2-methylaniline;4-N-(5-bromo-2-methylphenyl)-5-N-(4-chloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide;bis(4-chloro-1H-benzimidazol-2-amine);2-chloro-6-nitroaniline;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride
CID 157682735
5-bromo-2-methylaniline;4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide;4,5-difluorobenzene-1,2-diamine;bis(5,6-difluoro-1H-benzimidazol-2-amine);2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride
CID 158051102
1H-benzimidazol-2-amine;tert-butyl 4-(4-amino-3-methylphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-methylphenyl]piperazine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-2-methyl-1-nitrobenzene
CID 159077528
1H-benzimidazol-2-amine;tert-butyl 4-(4-amino-3-methylphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-methylphenyl]piperazine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-2-methyl-1-nitrobenzene
CID 160428346
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium?
The IUPAC name of 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium (CID 158961706) is 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium.
What is the SMILES notation for 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium?
The canonical SMILES for 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium is CC1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2nc(N)[nH]c2c1.Cc1ccc(Br)cc1N.Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2[nH]1.O=C(Cl)c1ncn2c(=O)c3c(C(=O)Cl)ncn3c(=O)c12.O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-].[CH3-].[Pd].
What is the InChIKey of 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium?
The InChIKey is GPGHMOYWGORNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33BrN8O4.2C17H25N5O2.C16H22N4O6.C10H2Cl2N4O4.C10H20N2O2.C7H8BrN.C6H3FN2O4.CH3.Pd/c1-16-6-7-18(30)12-21(16)33-25(39)23-24(32-15-31-23)26(40)36-27-34-20-9-8-19(13-22(20)35-27)38-11-10-37(14-17(38)2)28(41)42-29(3,4)5;2*1-11-10-21(16(23)24-17(2,3)4)7-8-22(11)12-5-6-13-14(9-12)20-15(18)19-13;1-11-10-17(15(21)26-16(2,3)4)7-8-18(11)12-5-6-13(19(22)23)14(9-12)20(24)25;11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-5-2-3-6(8)4-7(5)9;7-4-1-2-5(8(10)11)6(3-4)9(12)13;;/h6-9,12-13,15,17H,10-11,14H2,1-5H3,(H,31,32)(H,33,39)(H2,34,35,36,40);2*5-6,9,11H,7-8,10H2,1-4H3,(H3,18,19,20);5-6,9,11H,7-8,10H2,1-4H3;1-2H;8,11H,5-7H2,1-4H3;2-4H,9H2,1H3;1-3H;1H3;/q;;;;;;;;-1;.
What are the key properties of 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium?
5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium has a molecular weight of 2673.70 g/mol, XLogP of 18.98, 14 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylaniline;bis(tert-butyl 4-(2-amino-3H-benzimidazol-5-yl)-3-methylpiperazine-1-carboxylate);tert-butyl 4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]-3-methylpiperazine-1-carboxylate;tert-butyl 4-(3,4-dinitrophenyl)-3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;carbanide;2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarbonyl chloride;4-fluoro-1,2-dinitrobenzene;palladium is sourced from PubChem (CID 158961706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).