benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone

C124H153BCl3N31O31 — CID 159981744

IUPACbenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone
SMILESCC(C)(C)OC(=O)NCCCC(=O)O.CCNC(=O)Cc1ccc(COC(=O)CCNB(C)O)cc1.Cc1c(C(=O)O)ccc2[nH]c(-c3cc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nccn3C)nc12.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)O.Cn1ccnc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C19H22N4O4.C18H21N5O4.2C17H19N5O4.C15H23BN2O4.C13H12N4O2.C10H15N3O4.C9H17NO4.C6H5Cl3N2O/c1-10-12(17(24)25)6-7-13-15(10)22-16(21-13)14-8-11(9-23(14)5)20-18(26)27-19(2,3)4;1-9-10(16(24)25)6-7-11-13(9)22-14(19-11)15-20-12(8-23(15)5)21-17(26)27-18(2,3)4;1-17(2,3)26-16(25)21-12-8-22(4)14(20-12)13-18-10-6-5-9(15(23)24)7-11(10)19-13;1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-3-17-14(19)10-12-4-6-13(7-5-12)11-22-15(20)8-9-18-16(2)21;1-7-8(13(18)19)3-4-9-10(7)16-11(15-9)12-14-5-6-17(12)2;1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15;1-9(2,3)14-8(13)10-6-4-5-7(11)12;1-11-3-2-10-5(11)4(12)6(7,8)9/h6-9H,1-5H3,(H,20,26)(H,21,22)(H,24,25);6-8H,1-5H3,(H,19,22)(H,21,26)(H,24,25);5-8H,1-4H3,(H,18,19)(H,21,25)(H,23,24);5-10H,1-4H3,(H,18,24);4-7,18,21H,3,8-11H2,1-2H3,(H,17,19);3-6H,1-2H3,(H,15,16)(H,18,19);5H,1-4H3,(H,12,16)(H,14,15);4-6H2,1-3H3,(H,10,13)(H,11,12);2-3H,1H3
InChIKeyOFVXUTDYWNIZDV-UHFFFAOYSA-N
MW2690.94 g/mol
LogP19.92
Rot. Bonds30

About benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone

benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 159981744) has the molecular formula C124H153BCl3N31O31 and a molecular weight of 2690.94 g/mol. Its IUPAC name is benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Namebenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone
PubChem CID159981744
Molecular FormulaC124H153BCl3N31O31
Molecular Weight2690.94 g/mol
Exact Mass2688.05
IUPAC Namebenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone
SMILESCC(C)(C)OC(=O)NCCCC(=O)O.CCNC(=O)Cc1ccc(COC(=O)CCNB(C)O)cc1.Cc1c(C(=O)O)ccc2[nH]c(-c3cc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nccn3C)nc12.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)O.Cn1ccnc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C19H22N4O4.C18H21N5O4.2C17H19N5O4.C15H23BN2O4.C13H12N4O2.C10H15N3O4.C9H17NO4.C6H5Cl3N2O/c1-10-12(17(24)25)6-7-13-15(10)22-16(21-13)14-8-11(9-23(14)5)20-18(26)27-19(2,3)4;1-9-10(16(24)25)6-7-11-13(9)22-14(19-11)15-20-12(8-23(15)5)21-17(26)27-18(2,3)4;1-17(2,3)26-16(25)21-12-8-22(4)14(20-12)13-18-10-6-5-9(15(23)24)7-11(10)19-13;1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-3-17-14(19)10-12-4-6-13(7-5-12)11-22-15(20)8-9-18-16(2)21;1-7-8(13(18)19)3-4-9-10(7)16-11(15-9)12-14-5-6-17(12)2;1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15;1-9(2,3)14-8(13)10-6-4-5-7(11)12;1-11-3-2-10-5(11)4(12)6(7,8)9/h6-9H,1-5H3,(H,20,26)(H,21,22)(H,24,25);6-8H,1-5H3,(H,19,22)(H,21,26)(H,24,25);5-8H,1-4H3,(H,18,19)(H,21,25)(H,23,24);5-10H,1-4H3,(H,18,24);4-7,18,21H,3,8-11H2,1-2H3,(H,17,19);3-6H,1-2H3,(H,15,16)(H,18,19);5H,1-4H3,(H,12,16)(H,14,15);4-6H2,1-3H3,(H,10,13)(H,11,12);2-3H,1H3
InChIKeyOFVXUTDYWNIZDV-UHFFFAOYSA-N
XLogP19.92
TPSA829.20 Ų
H-Bond Donors19
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002690.94
LogP ≤ 519.92
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone with MolForge

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Related Compounds

[(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
[(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
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
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
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;bis(4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid);2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 159500125
CID 167557814
CID 167557814
5-(1H-benzimidazol-2-yl)-N-tert-butyl-1-methylpyrrol-3-amine;tris(tert-butyl acetate);4-[4-(tert-butylamino)phenyl]-1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;3-(tert-butylamino)propyl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;N-tert-butyl-5-(1H-indol-2-yl)-1-methylpyrrol-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]-1H-indole
CID 167589044
4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-1-methylpyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-N-(5,5-dimethylhexan-2-yl)-1-methylpyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;4-[4-(tert-butylamino)phenyl]-1-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrole-2-carboxamide;N-tert-butyl-2-[4-(tert-butylamino)-1-methylpyrrol-2-yl]-3H-benzimidazol-5-amine;N-tert-butyl-2-[4-(2,2-dimethylpropyl)phenyl]-3H-benzimidazol-5-amine;tert-butyl 2-[4-(2,2-dimethylpropyl)phenyl]-3H-benzimidazole-5-carboxylate;tert-butyl 4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole
CID 167599676
[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[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-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
CID 172951300
[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
CID 172966811
N-[5-[[(3R)-3-amino-5-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-oxopentyl]carbamoyl]-1-methylpyrrol-3-yl]-2-[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrol-2-yl]-3H-benzimidazole-5-carboxamide;[(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;(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine
CID 172982384
[(Z)-[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino] 4-[2-[4-[2-[4-[2-[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-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 172951301

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone (CID 159981744) is benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone is CC(C)(C)OC(=O)NCCCC(=O)O.CCNC(=O)Cc1ccc(COC(=O)CCNB(C)O)cc1.Cc1c(C(=O)O)ccc2[nH]c(-c3cc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nc(NC(=O)OC(C)(C)C)cn3C)nc12.Cc1c(C(=O)O)ccc2[nH]c(-c3nccn3C)nc12.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)O.Cn1ccnc1C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is OFVXUTDYWNIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4.C18H21N5O4.2C17H19N5O4.C15H23BN2O4.C13H12N4O2.C10H15N3O4.C9H17NO4.C6H5Cl3N2O/c1-10-12(17(24)25)6-7-13-15(10)22-16(21-13)14-8-11(9-23(14)5)20-18(26)27-19(2,3)4;1-9-10(16(24)25)6-7-11-13(9)22-14(19-11)15-20-12(8-23(15)5)21-17(26)27-18(2,3)4;1-17(2,3)26-16(25)21-12-8-22(4)14(20-12)13-18-10-6-5-9(15(23)24)7-11(10)19-13;1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-3-17-14(19)10-12-4-6-13(7-5-12)11-22-15(20)8-9-18-16(2)21;1-7-8(13(18)19)3-4-9-10(7)16-11(15-9)12-14-5-6-17(12)2;1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15;1-9(2,3)14-8(13)10-6-4-5-7(11)12;1-11-3-2-10-5(11)4(12)6(7,8)9/h6-9H,1-5H3,(H,20,26)(H,21,22)(H,24,25);6-8H,1-5H3,(H,19,22)(H,21,26)(H,24,25);5-8H,1-4H3,(H,18,19)(H,21,25)(H,23,24);5-10H,1-4H3,(H,18,24);4-7,18,21H,3,8-11H2,1-2H3,(H,17,19);3-6H,1-2H3,(H,15,16)(H,18,19);5H,1-4H3,(H,12,16)(H,14,15);4-6H2,1-3H3,(H,10,13)(H,11,12);2-3H,1H3.
What are the key properties of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone?
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 2690.94 g/mol, XLogP of 19.92, 30 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;N-[3-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-3-oxopropyl]-methylboronamidic acid;4-methyl-2-(1-methylimidazol-2-yl)-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-1H-benzimidazole-5-carboxylic acid;4-methyl-2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-1H-benzimidazole-5-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 159981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).