4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate

C260H365N29O15 — CID 167557814

IUPAC4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate
SMILESCC(C)(C)Cc1ccc(-c2nc3ccc(C(=O)OC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(CC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(NC(C)(C)C)cc3[nH]2)cc1.CC(CCC(C)(C)C)OC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CC(C)(C)C)C(=O)OCCCNC(=O)c1cc(-c2ccc(CC(C)(C)C)cc2)cn1C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)n1ccc2cc(CC(C)(C)C)ccc21.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCNC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1nc2ccc(NC(C)(C)C)cc2[nH]1
InChIInChI=1S/C30H36N2O.C28H42N2O3.C24H36N2O2.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-29(2,3)18-21-8-11-23(12-9-21)25-17-27(31(7)20-25)28(33)32-15-14-24-16-22(10-13-26(24)32)19-30(4,5)6;1-20(17-27(2,3)4)26(32)33-15-9-14-29-25(31)24-16-23(19-30(24)8)22-12-10-21(11-13-22)18-28(5,6)7;1-17(13-14-23(2,3)4)28-22(27)21-15-19(16-26(21)8)18-9-11-20(12-10-18)25-24(5,6)7;1-22(2,3)25-14-8-13-24-21(28)20-15-18(16-27(20)7)17-9-11-19(12-10-17)26-23(4,5)6;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)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;1-22(2,3)14-15-7-9-16(10-8-15)20-24-18-12-11-17(13-19(18)25-20)21(26)27-23(4,5)6;1-22(2,3)14-16-7-10-18(11-8-16)21-24-19-12-9-17(13-20(19)25-21)15-23(4,5)6;1-21(2,3)14-15-7-9-16(10-8-15)20-23-18-12-11-17(13-19(18)24-20)25-22(4,5)6;1-20(2,3)13-15-8-10-16(11-9-15)17-12-18(22(7)14-17)19(23)24-21(4,5)6;1-19(2,3)23-13-8-9-15-16(10-13)22-18(21-15)17-11-14(12-25(17)7)24-20(4,5)6/h8-17,20H,18-19H2,1-7H3;10-13,16,19-20H,9,14-15,17-18H2,1-8H3,(H,29,31);9-12,15-17,25H,13-14H2,1-8H3;9-12,15-16,25-26H,8,13-14H2,1-7H3,(H,24,28);9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);7-13H,14H2,1-6H3,(H,24,25);7-13H,14-15H2,1-6H3,(H,24,25);7-13,25H,14H2,1-6H3,(H,23,24);8-12,14H,13H2,1-7H3;8-12,23-24H,1-7H3,(H,21,22)/t;20-;;;16-;;;;;;/m.1..0....../s1
InChIKeyDFZLTQFFYPDOOG-HKELBHLNSA-N
MW4136.97 g/mol
LogP62.32
Rot. Bonds54

About 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate

4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate (PubChem CID 167557814) has the molecular formula C260H365N29O15 and a molecular weight of 4136.97 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate
PubChem CID167557814
Molecular FormulaC260H365N29O15
Molecular Weight4136.97 g/mol
Exact Mass4133.87
IUPAC Name4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate
SMILESCC(C)(C)Cc1ccc(-c2nc3ccc(C(=O)OC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(CC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(NC(C)(C)C)cc3[nH]2)cc1.CC(CCC(C)(C)C)OC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CC(C)(C)C)C(=O)OCCCNC(=O)c1cc(-c2ccc(CC(C)(C)C)cc2)cn1C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)n1ccc2cc(CC(C)(C)C)ccc21.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCNC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1nc2ccc(NC(C)(C)C)cc2[nH]1
InChIInChI=1S/C30H36N2O.C28H42N2O3.C24H36N2O2.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-29(2,3)18-21-8-11-23(12-9-21)25-17-27(31(7)20-25)28(33)32-15-14-24-16-22(10-13-26(24)32)19-30(4,5)6;1-20(17-27(2,3)4)26(32)33-15-9-14-29-25(31)24-16-23(19-30(24)8)22-12-10-21(11-13-22)18-28(5,6)7;1-17(13-14-23(2,3)4)28-22(27)21-15-19(16-26(21)8)18-9-11-20(12-10-18)25-24(5,6)7;1-22(2,3)25-14-8-13-24-21(28)20-15-18(16-27(20)7)17-9-11-19(12-10-17)26-23(4,5)6;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)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;1-22(2,3)14-15-7-9-16(10-8-15)20-24-18-12-11-17(13-19(18)25-20)21(26)27-23(4,5)6;1-22(2,3)14-16-7-10-18(11-8-16)21-24-19-12-9-17(13-20(19)25-21)15-23(4,5)6;1-21(2,3)14-15-7-9-16(10-8-15)20-23-18-12-11-17(13-19(18)24-20)25-22(4,5)6;1-20(2,3)13-15-8-10-16(11-9-15)17-12-18(22(7)14-17)19(23)24-21(4,5)6;1-19(2,3)23-13-8-9-15-16(10-13)22-18(21-15)17-11-14(12-25(17)7)24-20(4,5)6/h8-17,20H,18-19H2,1-7H3;10-13,16,19-20H,9,14-15,17-18H2,1-8H3,(H,29,31);9-12,15-17,25H,13-14H2,1-8H3;9-12,15-16,25-26H,8,13-14H2,1-7H3,(H,24,28);9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);7-13H,14H2,1-6H3,(H,24,25);7-13H,14-15H2,1-6H3,(H,24,25);7-13,25H,14H2,1-6H3,(H,23,24);8-12,14H,13H2,1-7H3;8-12,23-24H,1-7H3,(H,21,22)/t;20-;;;16-;;;;;;/m.1..0....../s1
InChIKeyDFZLTQFFYPDOOG-HKELBHLNSA-N
XLogP62.32
TPSA512.46 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004136.97
LogP ≤ 562.32
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Analyze 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(1R)-2-[(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]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46892645
Propan-2-yl 15-(methoxymethyl)-4-(4-methylphenyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene-14-carboxylate
CID 57249997
[(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
propan-2-yl 6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-[(pyridazine-4-carbonylamino)methyl]-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-4-[[2-[7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]acetyl]oxymethyl]-1H-indole-2-carboxylate
CID 137387420
Methyl 3-amino-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzoate;5-[2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 137526320
Bis[4-(3-methylimidazol-3-ium-1-yl)butyl] 4-[3-(4-imidazol-3-ium-1-ylbutyl)carbazol-9-yl]-5-[3-[4-(3-methylimidazol-3-ium-1-yl)butyl]carbazol-9-yl]benzene-1,2-dicarboxylate
CID 140821466
ethyl N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-[5-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 157079467
N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide
CID 157239321
N,N-dimethyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-2-(morpholine-4-carbonyl)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;methyl 1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
CID 157262141

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate?
The IUPAC name of 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate (CID 167557814) is 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate.
What is the SMILES notation for 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate?
The canonical SMILES for 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate is CC(C)(C)Cc1ccc(-c2nc3ccc(C(=O)OC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(CC(C)(C)C)cc3[nH]2)cc1.CC(C)(C)Cc1ccc(-c2nc3ccc(NC(C)(C)C)cc3[nH]2)cc1.CC(CCC(C)(C)C)OC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C.C[C@@H](CNC(=O)c1cc(-c2ccc(NC(C)(C)C)cc2)cn1C)OC(C)(C)C.C[C@H](CC(C)(C)C)C(=O)OCCCNC(=O)c1cc(-c2ccc(CC(C)(C)C)cc2)cn1C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)n1ccc2cc(CC(C)(C)C)ccc21.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCNC(C)(C)C.Cn1cc(-c2ccc(NC(C)(C)C)cc2)cc1C(=O)NCCCOC(C)(C)C.Cn1cc(NC(C)(C)C)cc1-c1nc2ccc(NC(C)(C)C)cc2[nH]1.
What is the InChIKey of 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate?
The InChIKey is DFZLTQFFYPDOOG-HKELBHLNSA-N. The full InChI is InChI=1S/C30H36N2O.C28H42N2O3.C24H36N2O2.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-29(2,3)18-21-8-11-23(12-9-21)25-17-27(31(7)20-25)28(33)32-15-14-24-16-22(10-13-26(24)32)19-30(4,5)6;1-20(17-27(2,3)4)26(32)33-15-9-14-29-25(31)24-16-23(19-30(24)8)22-12-10-21(11-13-22)18-28(5,6)7;1-17(13-14-23(2,3)4)28-22(27)21-15-19(16-26(21)8)18-9-11-20(12-10-18)25-24(5,6)7;1-22(2,3)25-14-8-13-24-21(28)20-15-18(16-27(20)7)17-9-11-19(12-10-17)26-23(4,5)6;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)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;1-22(2,3)14-15-7-9-16(10-8-15)20-24-18-12-11-17(13-19(18)25-20)21(26)27-23(4,5)6;1-22(2,3)14-16-7-10-18(11-8-16)21-24-19-12-9-17(13-20(19)25-21)15-23(4,5)6;1-21(2,3)14-15-7-9-16(10-8-15)20-23-18-12-11-17(13-19(18)24-20)25-22(4,5)6;1-20(2,3)13-15-8-10-16(11-9-15)17-12-18(22(7)14-17)19(23)24-21(4,5)6;1-19(2,3)23-13-8-9-15-16(10-13)22-18(21-15)17-11-14(12-25(17)7)24-20(4,5)6/h8-17,20H,18-19H2,1-7H3;10-13,16,19-20H,9,14-15,17-18H2,1-8H3,(H,29,31);9-12,15-17,25H,13-14H2,1-8H3;9-12,15-16,25-26H,8,13-14H2,1-7H3,(H,24,28);9-13,15-16,25H,14H2,1-8H3,(H,24,27);9-12,15-16,25H,8,13-14H2,1-7H3,(H,24,27);7-13H,14H2,1-6H3,(H,24,25);7-13H,14-15H2,1-6H3,(H,24,25);7-13,25H,14H2,1-6H3,(H,23,24);8-12,14H,13H2,1-7H3;8-12,23-24H,1-7H3,(H,21,22)/t;20-;;;16-;;;;;;/m.1..0....../s1.
What are the key properties of 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate?
4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate has a molecular weight of 4136.97 g/mol, XLogP of 62.32, 54 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylamino)phenyl]-N-[3-(tert-butylamino)propyl]-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;5,5-dimethylhexan-2-yl 4-[4-(tert-butylamino)phenyl]-1-methylpyrrole-2-carboxylate;6-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)phenyl]-1H-benzimidazole;[5-(2,2-dimethylpropyl)indol-1-yl]-[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrol-2-yl]methanone;3-[[4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrole-2-carbonyl]amino]propyl (2R)-2,4,4-trimethylpentanoate is sourced from PubChem (CID 167557814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).