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

C207H306N26O18 — CID 167589044

IUPAC5-(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
SMILESCC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(C)(C)Cc1ccc(-c2cc3ccccc3[nH]2)cc1.CC(CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)OCCCNC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1cc2ccccc2[nH]1.Cn1cc(NC(C)(C)C)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/5C23H35N3O2.C22H33N3O2.C19H21N.C17H21N3.C16H20N4.3C6H12O2/c3*1-16(28-23(5,6)7)14-24-21(27)20-13-18(15-26(20)8)17-9-11-19(12-10-17)25-22(2,3)4;1-22(2,3)24-13-8-14-28-21(27)20-15-18(16-26(20)7)17-9-11-19(12-10-17)25-23(4,5)6;1-22(2,3)25-19-11-9-17(10-12-19)18-15-20(26(7)16-18)21(27)24-13-8-14-28-23(4,5)6;1-21(2,3)24-18-10-8-16(9-11-18)17-14-19(25(7)15-17)20(26)23-12-13-27-22(4,5)6;1-19(2,3)13-14-8-10-15(11-9-14)18-12-16-6-4-5-7-17(16)20-18;1-17(2,3)19-13-10-16(20(4)11-13)15-9-12-7-5-6-8-14(12)18-15;1-16(2,3)19-11-9-14(20(4)10-11)15-17-12-7-5-6-8-13(12)18-15;3*1-5(7)8-6(2,3)4/h3*9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,24-25H,8,13-14H2,1-7H3;9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);8-11,14-15,24H,12-13H2,1-7H3,(H,23,26);4-12,20H,13H2,1-3H3;5-11,18-19H,1-4H3;5-10,19H,1-4H3,(H,17,18);3*1-4H3/t2*16-;;;;;;;;;;/m10........../s1
InChIKeyIEMYZFSWGANKQA-QLGJBNDHSA-N
MW3446.89 g/mol
LogP46.26
Rot. Bonds44

About 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

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 (PubChem CID 167589044) has the molecular formula C207H306N26O18 and a molecular weight of 3446.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID167589044
Molecular FormulaC207H306N26O18
Molecular Weight3446.89 g/mol
Exact Mass3444.38
IUPAC Name5-(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
SMILESCC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(C)(C)Cc1ccc(-c2cc3ccccc3[nH]2)cc1.CC(CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)OCCCNC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1cc2ccccc2[nH]1.Cn1cc(NC(C)(C)C)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/5C23H35N3O2.C22H33N3O2.C19H21N.C17H21N3.C16H20N4.3C6H12O2/c3*1-16(28-23(5,6)7)14-24-21(27)20-13-18(15-26(20)8)17-9-11-19(12-10-17)25-22(2,3)4;1-22(2,3)24-13-8-14-28-21(27)20-15-18(16-26(20)7)17-9-11-19(12-10-17)25-23(4,5)6;1-22(2,3)25-19-11-9-17(10-12-19)18-15-20(26(7)16-18)21(27)24-13-8-14-28-23(4,5)6;1-21(2,3)24-18-10-8-16(9-11-18)17-14-19(25(7)15-17)20(26)23-12-13-27-22(4,5)6;1-19(2,3)13-14-8-10-15(11-9-14)18-12-16-6-4-5-7-17(16)20-18;1-17(2,3)19-13-10-16(20(4)11-13)15-9-12-7-5-6-8-14(12)18-15;1-16(2,3)19-11-9-14(20(4)10-11)15-17-12-7-5-6-8-13(12)18-15;3*1-5(7)8-6(2,3)4/h3*9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,24-25H,8,13-14H2,1-7H3;9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);8-11,14-15,24H,12-13H2,1-7H3,(H,23,26);4-12,20H,13H2,1-3H3;5-11,18-19H,1-4H3;5-10,19H,1-4H3,(H,17,18);3*1-4H3/t2*16-;;;;;;;;;;/m10........../s1
InChIKeyIEMYZFSWGANKQA-QLGJBNDHSA-N
XLogP46.26
TPSA504.82 Ų
H-Bond Donors17
H-Bond Acceptors36
Rotatable Bonds44
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003446.89
LogP ≤ 546.26
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(2S)-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid;benzyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;benzyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-3-(3H-pyrrol-5-yl)propanoyl]amino]propanoate;benzyl 3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 160251407
bis(N-(1H-benzimidazol-2-yl)-7-(1H-indol-7-ylcarbamoylamino)-1H-indole-2-carboxamide);tetrakis(tetrabutylazanium);tetrabenzoate
CID 139191029
[5,10,15,20-Tetrakis[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]-22,24-dihydroporphyrin-2-yl]methyl 8-(2-methylimidazol-1-yl)octanoate
CID 16155585
4-[[4-[[4-[[4-[[4-[4-[[4-[[4-[[4-(4-Aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrol-2-yl]-4-oxobutyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-[2-[[2-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]methoxy]-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 53680102
[4-[2-(Ethylamino)-2-oxoethyl]phenyl]methyl 2-[[4-[[4-[[4-[4-[[4-[[4-[(4-acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]acetate
CID 54004875
[4-[2-(Ethylamino)-2-oxoethyl]phenyl]methyl 2-[[4-[[4-[[4-[4-[[4-[[4-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]acetate
CID 54018791
2-[2-Acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-1-yl]acetic acid;[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 2-[[2-[2-acetyl-4-[[4-[[4-[[4-[4-[[4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]pyrrol-1-yl]acetyl]amino]acetate;[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 2-[[2-[2-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-1-yl]acetyl]amino]acetate
CID 54045658
[(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
[5-[2-[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[[1-[3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]methylcarbamoyl]phenyl]phenyl]methyl N-[1-[2-[6-[6-[[[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90979328
[(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
[2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidin-2-yl]-6-[2-[4-[2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]ethynyl]-3H-benzimidazol-4-yl]methyl N-[2-[2-[6-[2-[4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 91285467
4-[6-[2-[4-[2-[2-[[1-[3-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-[3-[4-[2-[2-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]ethoxy]ethoxymethyl]triazol-1-yl]propyl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]propyl]triazol-4-yl]methoxy]ethoxy]ethyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 138618179

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(C)(C)Cc1ccc(-c2cc3ccccc3[nH]2)cc1.CC(CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCOC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)OCCCNC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1cc2ccccc2[nH]1.Cn1cc(NC(C)(C)C)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is IEMYZFSWGANKQA-QLGJBNDHSA-N. The full InChI is InChI=1S/5C23H35N3O2.C22H33N3O2.C19H21N.C17H21N3.C16H20N4.3C6H12O2/c3*1-16(28-23(5,6)7)14-24-21(27)20-13-18(15-26(20)8)17-9-11-19(12-10-17)25-22(2,3)4;1-22(2,3)24-13-8-14-28-21(27)20-15-18(16-26(20)7)17-9-11-19(12-10-17)25-23(4,5)6;1-22(2,3)25-19-11-9-17(10-12-19)18-15-20(26(7)16-18)21(27)24-13-8-14-28-23(4,5)6;1-21(2,3)24-18-10-8-16(9-11-18)17-14-19(25(7)15-17)20(26)23-12-13-27-22(4,5)6;1-19(2,3)13-14-8-10-15(11-9-14)18-12-16-6-4-5-7-17(16)20-18;1-17(2,3)19-13-10-16(20(4)11-13)15-9-12-7-5-6-8-14(12)18-15;1-16(2,3)19-11-9-14(20(4)10-11)15-17-12-7-5-6-8-13(12)18-15;3*1-5(7)8-6(2,3)4/h3*9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,24-25H,8,13-14H2,1-7H3;9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);8-11,14-15,24H,12-13H2,1-7H3,(H,23,26);4-12,20H,13H2,1-3H3;5-11,18-19H,1-4H3;5-10,19H,1-4H3,(H,17,18);3*1-4H3/t2*16-;;;;;;;;;;/m10........../s1.
What are the key properties of 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?
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 has a molecular weight of 3446.89 g/mol, XLogP of 46.26, 44 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167589044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).