acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid

C134H148N36O38 — CID 158818204

IUPACacetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
SMILESCC(=O)O.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc(N)c(NC(=O)C2CC([N+](=O)[O-])=CN2C)c1.COC(=O)c1ccc2nc(-c3cc(NC(=O)OC(C)(C)C)cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)[nH]c2c1.Cn1cc(NC(=O)OC(C)(C)C)cc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)n1.Cn1cc([N+](=O)[O-])cc1C(=O)O.Cn1cc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C24H27N7O5.C23H25N7O5.C19H22N4O4.C18H20N4O4.C14H16N4O5.C14H12N4O4.C8H10N2O2.C6H6N2O4.C6H6N2O3.C2H4O2/c1-24(2,3)36-23(34)25-14-10-17(30(4)11-14)21(32)29-18-12-31(5)20(28-18)19-26-15-8-7-13(22(33)35-6)9-16(15)27-19;1-23(2,3)35-22(34)24-13-9-16(29(4)10-13)20(31)28-17-11-30(5)19(27-17)18-25-14-7-6-12(21(32)33)8-15(14)26-18;1-19(2,3)27-18(25)20-12-9-15(23(4)10-12)16-21-13-7-6-11(17(24)26-5)8-14(13)22-16;1-18(2,3)26-17(25)19-11-8-14(22(4)9-11)15-20-12-6-5-10(16(23)24)7-13(12)21-15;1-17-7-9(18(21)22)6-12(17)13(19)16-11-5-8(14(20)23-2)3-4-10(11)15;1-17-7-9(18(20)21)6-12(17)13-15-10-4-3-8(14(19)22-2)5-11(10)16-13;1-12-8(11)5-2-3-6(9)7(10)4-5;1-7-3-4(8(11)12)2-5(7)6(9)10;1-7-3-5(8(10)11)2-6(7)4-9;1-2(3)4/h7-12H,1-6H3,(H,25,34)(H,26,27)(H,29,32);6-11H,1-5H3,(H,24,34)(H,25,26)(H,28,31)(H,32,33);6-10H,1-5H3,(H,20,25)(H,21,22);5-9H,1-4H3,(H,19,25)(H,20,21)(H,23,24);3-5,7,12H,6,15H2,1-2H3,(H,16,19);3-7H,1-2H3,(H,15,16);2-4H,9-10H2,1H3;2-3H,1H3,(H,9,10);2-4H,1H3;1H3,(H,3,4)
InChIKeyUOGXHOBEHNHPHQ-UHFFFAOYSA-N
MW2870.87 g/mol
LogP19.79
Rot. Bonds28

About acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid

acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid (PubChem CID 158818204) has the molecular formula C134H148N36O38 and a molecular weight of 2870.87 g/mol. Its IUPAC name is acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
PubChem CID158818204
Molecular FormulaC134H148N36O38
Molecular Weight2870.87 g/mol
Exact Mass2869.08
IUPAC Nameacetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
SMILESCC(=O)O.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc(N)c(NC(=O)C2CC([N+](=O)[O-])=CN2C)c1.COC(=O)c1ccc2nc(-c3cc(NC(=O)OC(C)(C)C)cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)[nH]c2c1.Cn1cc(NC(=O)OC(C)(C)C)cc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)n1.Cn1cc([N+](=O)[O-])cc1C(=O)O.Cn1cc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C24H27N7O5.C23H25N7O5.C19H22N4O4.C18H20N4O4.C14H16N4O5.C14H12N4O4.C8H10N2O2.C6H6N2O4.C6H6N2O3.C2H4O2/c1-24(2,3)36-23(34)25-14-10-17(30(4)11-14)21(32)29-18-12-31(5)20(28-18)19-26-15-8-7-13(22(33)35-6)9-16(15)27-19;1-23(2,3)35-22(34)24-13-9-16(29(4)10-13)20(31)28-17-11-30(5)19(27-17)18-25-14-7-6-12(21(32)33)8-15(14)26-18;1-19(2,3)27-18(25)20-12-9-15(23(4)10-12)16-21-13-7-6-11(17(24)26-5)8-14(13)22-16;1-18(2,3)26-17(25)19-11-8-14(22(4)9-11)15-20-12-6-5-10(16(23)24)7-13(12)21-15;1-17-7-9(18(21)22)6-12(17)13(19)16-11-5-8(14(20)23-2)3-4-10(11)15;1-17-7-9(18(20)21)6-12(17)13-15-10-4-3-8(14(19)22-2)5-11(10)16-13;1-12-8(11)5-2-3-6(9)7(10)4-5;1-7-3-4(8(11)12)2-5(7)6(9)10;1-7-3-5(8(10)11)2-6(7)4-9;1-2(3)4/h7-12H,1-6H3,(H,25,34)(H,26,27)(H,29,32);6-11H,1-5H3,(H,24,34)(H,25,26)(H,28,31)(H,32,33);6-10H,1-5H3,(H,20,25)(H,21,22);5-9H,1-4H3,(H,19,25)(H,20,21)(H,23,24);3-5,7,12H,6,15H2,1-2H3,(H,16,19);3-7H,1-2H3,(H,15,16);2-4H,9-10H2,1H3;2-3H,1H3,(H,9,10);2-4H,1H3;1H3,(H,3,4)
InChIKeyUOGXHOBEHNHPHQ-UHFFFAOYSA-N
XLogP19.79
TPSA1005.80 Ų
H-Bond Donors19
H-Bond Acceptors54
Rotatable Bonds28
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002870.87
LogP ≤ 519.79
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid with MolForge

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Related Compounds

6-amino-1,3-dihydroindol-2-one;1-(3-aminophenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea;1-isocyanato-3-nitrobenzene;methoxymethane;3-(4-methylimidazol-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid;1-(3-nitrophenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea;1H-pyrrole-2-carbaldehyde
CID 161752633
2-(4-imidazol-1-yl-3-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 139212868
2-{4-[(4-Tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carbonyl)-amino]-1-methyl-1h-imidazol-2-yl}-1h-benzimidazole-5-carboxylic methyl ester
CID 12068003
2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid
CID 12068004
[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[[4-[[4-[[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 59986214
benzyl N-[4-amino-1-[[2-[[[5-[[2-[[5-[[[4-[[2-[[5-[[5-[(5-formyl-1-methylpyrrol-3-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]oxymethyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]oxymethyl]-1-methylimidazol-4-yl]amino]-1-oxobutan-2-yl]carbamate
CID 89009546
[(E)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[[4-[[4-[[4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-methyl-4-[[2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-oxopentyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 91003668
sodium;2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;[(2S)-1-methoxy-3-(5-nitro-1H-indol-3-yl)-1-oxopropan-2-yl]azanium;methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoate;hydroxide
CID 158390935
sodium;(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;[(2S)-1-methoxy-3-(5-nitro-1H-indol-3-yl)-1-oxopropan-2-yl]azanium;methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoate;hydroxide
CID 158390936
tert-butyl (2S)-2-[6-[5-[3-[[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-4-methylphenyl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-[[2-[3-[[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-4-methylphenyl]-2-oxoethyl]carbamoyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(1R)-2-[(2S)-2-[[5-(2-aminoacetyl)-2-methylphenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazole-5-carboxylic acid
CID 158604799
Benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;(2-methoxycarbonyl-1-methylimidazol-4-yl)azanium;(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanium;methyl 1-methyl-4-nitroimidazole-2-carboxylate;methyl 1-methyl-4-nitropyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;dichloride
CID 159061714
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid
CID 159183331

Frequently Asked Questions

What is the IUPAC name of acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid?
The IUPAC name of acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid (CID 158818204) is acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid.
What is the SMILES notation for acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid?
The canonical SMILES for acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid is CC(=O)O.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc(N)c(NC(=O)C2CC([N+](=O)[O-])=CN2C)c1.COC(=O)c1ccc2nc(-c3cc(NC(=O)OC(C)(C)C)cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])cn3C)[nH]c2c1.COC(=O)c1ccc2nc(-c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)[nH]c2c1.Cn1cc(NC(=O)OC(C)(C)C)cc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)n1.Cn1cc([N+](=O)[O-])cc1C(=O)O.Cn1cc([N+](=O)[O-])cc1C=O.
What is the InChIKey of acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid?
The InChIKey is UOGXHOBEHNHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O5.C23H25N7O5.C19H22N4O4.C18H20N4O4.C14H16N4O5.C14H12N4O4.C8H10N2O2.C6H6N2O4.C6H6N2O3.C2H4O2/c1-24(2,3)36-23(34)25-14-10-17(30(4)11-14)21(32)29-18-12-31(5)20(28-18)19-26-15-8-7-13(22(33)35-6)9-16(15)27-19;1-23(2,3)35-22(34)24-13-9-16(29(4)10-13)20(31)28-17-11-30(5)19(27-17)18-25-14-7-6-12(21(32)33)8-15(14)26-18;1-19(2,3)27-18(25)20-12-9-15(23(4)10-12)16-21-13-7-6-11(17(24)26-5)8-14(13)22-16;1-18(2,3)26-17(25)19-11-8-14(22(4)9-11)15-20-12-6-5-10(16(23)24)7-13(12)21-15;1-17-7-9(18(21)22)6-12(17)13(19)16-11-5-8(14(20)23-2)3-4-10(11)15;1-17-7-9(18(20)21)6-12(17)13-15-10-4-3-8(14(19)22-2)5-11(10)16-13;1-12-8(11)5-2-3-6(9)7(10)4-5;1-7-3-4(8(11)12)2-5(7)6(9)10;1-7-3-5(8(10)11)2-6(7)4-9;1-2(3)4/h7-12H,1-6H3,(H,25,34)(H,26,27)(H,29,32);6-11H,1-5H3,(H,24,34)(H,25,26)(H,28,31)(H,32,33);6-10H,1-5H3,(H,20,25)(H,21,22);5-9H,1-4H3,(H,19,25)(H,20,21)(H,23,24);3-5,7,12H,6,15H2,1-2H3,(H,16,19);3-7H,1-2H3,(H,15,16);2-4H,9-10H2,1H3;2-3H,1H3,(H,9,10);2-4H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid?
acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid has a molecular weight of 2870.87 g/mol, XLogP of 19.79, 28 rotatable bonds, 19 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid is sourced from PubChem (CID 158818204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).