acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one

C96H120BBr4FFeI2N20O17 — CID 158788187

IUPACacetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
SMILESCC(=O)O.CC(C)N.CC(C)Nc1cccc(Br)c1N.CC(C)Nc1cccc(Br)c1[N+](=O)[O-].CC(C)n1c(=O)[nH]c2c(-c3nn(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cccc21.CC(C)n1c(=O)[nH]c2c(B3OC(C)(C)C(C)(C)O3)cccc21.CC(C)n1c(=O)[nH]c2c(Br)cccc21.Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(I)n1.O=[N+]([O-])c1c(F)cccc1Br.[2H]CI.[Fe]
InChIInChI=1S/C25H26N6O4.C16H23BN2O3.C15H17IN4O3.C10H11BrN2O.C9H11BrN2O2.C9H13BrN2.C6H3BrFNO2.C3H9N.C2H4O2.CH3I.Fe/c1-14(2)31-19-11-7-10-16(21(19)28-25(31)35)20-17(13-30(3)29-20)24(34)27-18(22(32)23(26)33)12-15-8-5-4-6-9-15;1-10(2)19-12-9-7-8-11(13(12)18-14(19)20)17-21-15(3,4)16(5,6)22-17;1-20-8-10(13(16)19-20)15(23)18-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-6(2)13-8-5-3-4-7(11)9(8)12-10(13)14;1-6(2)11-8-5-3-4-7(10)9(8)12(13)14;1-6(2)12-8-5-3-4-7(10)9(8)11;7-4-2-1-3-5(8)6(4)9(10)11;1-3(2)4;1-2(3)4;1-2;/h4-11,13-14,18H,12H2,1-3H3,(H2,26,33)(H,27,34)(H,28,35);7-10H,1-6H3,(H,18,20);2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,18,23);3-6H,1-2H3,(H,12,14);3-6,11H,1-2H3;3-6,12H,11H2,1-2H3;1-3H;3H,4H2,1-2H3;1H3,(H,3,4);1H3;/i;;;;;;;;;1D;
InChIKeyIWZHRJJFQMCQFX-VRTHQISOSA-N
MW2486.22 g/mol
LogP16.82
Rot. Bonds23

About acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one

acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one (PubChem CID 158788187) has the molecular formula C96H120BBr4FFeI2N20O17 and a molecular weight of 2486.22 g/mol. Its IUPAC name is acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Nameacetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
PubChem CID158788187
Molecular FormulaC96H120BBr4FFeI2N20O17
Molecular Weight2486.22 g/mol
Exact Mass2481.35
IUPAC Nameacetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
SMILESCC(=O)O.CC(C)N.CC(C)Nc1cccc(Br)c1N.CC(C)Nc1cccc(Br)c1[N+](=O)[O-].CC(C)n1c(=O)[nH]c2c(-c3nn(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cccc21.CC(C)n1c(=O)[nH]c2c(B3OC(C)(C)C(C)(C)O3)cccc21.CC(C)n1c(=O)[nH]c2c(Br)cccc21.Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(I)n1.O=[N+]([O-])c1c(F)cccc1Br.[2H]CI.[Fe]
InChIInChI=1S/C25H26N6O4.C16H23BN2O3.C15H17IN4O3.C10H11BrN2O.C9H11BrN2O2.C9H13BrN2.C6H3BrFNO2.C3H9N.C2H4O2.CH3I.Fe/c1-14(2)31-19-11-7-10-16(21(19)28-25(31)35)20-17(13-30(3)29-20)24(34)27-18(22(32)23(26)33)12-15-8-5-4-6-9-15;1-10(2)19-12-9-7-8-11(13(12)18-14(19)20)17-21-15(3,4)16(5,6)22-17;1-20-8-10(13(16)19-20)15(23)18-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-6(2)13-8-5-3-4-7(11)9(8)12-10(13)14;1-6(2)11-8-5-3-4-7(10)9(8)12(13)14;1-6(2)12-8-5-3-4-7(10)9(8)11;7-4-2-1-3-5(8)6(4)9(10)11;1-3(2)4;1-2(3)4;1-2;/h4-11,13-14,18H,12H2,1-3H3,(H2,26,33)(H,27,34)(H,28,35);7-10H,1-6H3,(H,18,20);2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,18,23);3-6H,1-2H3,(H,12,14);3-6,11H,1-2H3;3-6,12H,11H2,1-2H3;1-3H;3H,4H2,1-2H3;1H3,(H,3,4);1H3;/i;;;;;;;;;1D;
InChIKeyIWZHRJJFQMCQFX-VRTHQISOSA-N
XLogP16.82
TPSA548.83 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.22
LogP ≤ 516.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one with MolForge

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;deuteriomethylphosphane;ethyl 3-(4-fluorophenyl)-1-methylpyrazole-4-carboxylate;ethyl 3-iodo-1-methylpyrazole-4-carboxylate;methane
CID 167575695
N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 134397577
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 134396763
sodium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxylic acid;deuteriomethylphosphane;ethyl 3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxylate;ethyl 3-(furan-3-yl)-1-methylpyrazole-4-carboxylate;ethyl 3-iodo-1-methylpyrazole-4-carboxylate;furan-3-ylboronic acid;methane;hydroxide;hydrochloride
CID 167641559
lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride
CID 158826287
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 165011565
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134396739
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 134397631
N-[(3S)-1-amino-1,2-dioxohex-5-yn-3-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 142753528
3-[[3-(3-fluorophenyl)-1-methylpyrazole-4-carbonyl]amino]-2-oxo-4-phenylbutanoic acid;3-(3-fluorophenyl)-1-methylpyrazole-4-carboxylic acid;methyl 3-amino-2-hydroxy-4-phenylbutanoate;methyl 3-[[3-(3-fluorophenyl)-1-methylpyrazole-4-carbonyl]amino]-2-hydroxy-4-phenylbutanoate;methyl 3-[[3-(3-fluorophenyl)-1-methylpyrazole-4-carbonyl]amino]-2-oxo-4-phenylbutanoate;hydrochloride
CID 167603952
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2-fluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2-methylphenyl)pyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide)
CID 157210006

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one (CID 158788187) is acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one is CC(=O)O.CC(C)N.CC(C)Nc1cccc(Br)c1N.CC(C)Nc1cccc(Br)c1[N+](=O)[O-].CC(C)n1c(=O)[nH]c2c(-c3nn(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cccc21.CC(C)n1c(=O)[nH]c2c(B3OC(C)(C)C(C)(C)O3)cccc21.CC(C)n1c(=O)[nH]c2c(Br)cccc21.Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(I)n1.O=[N+]([O-])c1c(F)cccc1Br.[2H]CI.[Fe].
What is the InChIKey of acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one?
The InChIKey is IWZHRJJFQMCQFX-VRTHQISOSA-N. The full InChI is InChI=1S/C25H26N6O4.C16H23BN2O3.C15H17IN4O3.C10H11BrN2O.C9H11BrN2O2.C9H13BrN2.C6H3BrFNO2.C3H9N.C2H4O2.CH3I.Fe/c1-14(2)31-19-11-7-10-16(21(19)28-25(31)35)20-17(13-30(3)29-20)24(34)27-18(22(32)23(26)33)12-15-8-5-4-6-9-15;1-10(2)19-12-9-7-8-11(13(12)18-14(19)20)17-21-15(3,4)16(5,6)22-17;1-20-8-10(13(16)19-20)15(23)18-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-6(2)13-8-5-3-4-7(11)9(8)12-10(13)14;1-6(2)11-8-5-3-4-7(10)9(8)12(13)14;1-6(2)12-8-5-3-4-7(10)9(8)11;7-4-2-1-3-5(8)6(4)9(10)11;1-3(2)4;1-2(3)4;1-2;/h4-11,13-14,18H,12H2,1-3H3,(H2,26,33)(H,27,34)(H,28,35);7-10H,1-6H3,(H,18,20);2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,18,23);3-6H,1-2H3,(H,12,14);3-6,11H,1-2H3;3-6,12H,11H2,1-2H3;1-3H;3H,4H2,1-2H3;1H3,(H,3,4);1H3;/i;;;;;;;;;1D;.
What are the key properties of acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one?
acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one has a molecular weight of 2486.22 g/mol, XLogP of 16.82, 23 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-oxo-1-propan-2-yl-3H-benzimidazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-iodo-1-methylpyrazole-4-carboxamide;1-bromo-3-fluoro-2-nitrobenzene;3-bromo-2-nitro-N-propan-2-ylaniline;3-bromo-1-N-propan-2-ylbenzene-1,2-diamine;7-bromo-3-propan-2-yl-1H-benzimidazol-2-one;deuterio(iodo)methane;iron;propan-2-amine;3-propan-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 158788187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).