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

C202H288N26O10 — CID 167599676

IUPAC4-[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
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)NC(=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.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.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/C24H37N3O.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-17(13-14-23(2,3)4)25-22(28)21-15-19(16-27(21)8)18-9-11-20(12-10-18)26-24(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/h9-12,15-17,26H,13-14H2,1-8H3,(H,25,28);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;;16-;;;;;;/m..0....../s1
InChIKeyJOBCWWCMWFBXFE-OEYVHEEVSA-N
MW3240.70 g/mol
LogP48.37
Rot. Bonds41

About 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

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 (PubChem CID 167599676) has the molecular formula C202H288N26O10 and a molecular weight of 3240.70 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]-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.

Molecular Properties

Compound Name4-[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
PubChem CID167599676
Molecular FormulaC202H288N26O10
Molecular Weight3240.70 g/mol
Exact Mass3238.28
IUPAC Name4-[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
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)NC(=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.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.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/C24H37N3O.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-17(13-14-23(2,3)4)25-22(28)21-15-19(16-27(21)8)18-9-11-20(12-10-18)26-24(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/h9-12,15-17,26H,13-14H2,1-8H3,(H,25,28);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;;16-;;;;;;/m..0....../s1
InChIKeyJOBCWWCMWFBXFE-OEYVHEEVSA-N
XLogP48.37
TPSA428.00 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds41
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003240.70
LogP ≤ 548.37
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
methyl N-[(1R)-2-[(2S)-2-[[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-5-yl]-2-methylphenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46892646
methyl N-[(1R)-2-[(2S)-2-[[5-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-2-methylphenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58384763
methyl N-[(1R)-2-[(2S)-2-[6-[2-[3-[[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-4-methylphenyl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58384770
methyl N-[(1R)-2-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylacetyl]pyrrolidin-2-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59236981
N-[(1R)-2-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
CID 59236992
methyl N-[(1R)-2-[(2S)-2-[4-[5-[2-[(2S)-1-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59237083
methyl N-[(1R)-2-[(2S)-2-[4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59237093
methyl N-[(1R)-2-[(2S)-2-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59237130
methyl N-[(1R)-2-[(2S)-2-[6-[5-[3-[[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59449963
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
CID 59450030
[(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

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]-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?
The IUPAC name of 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) is 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.
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]-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?
The canonical SMILES for 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 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)NC(=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.Cn1cc(-c2ccc(CC(C)(C)C)cc2)cc1C(=O)OC(C)(C)C.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]-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?
The InChIKey is JOBCWWCMWFBXFE-OEYVHEEVSA-N. The full InChI is InChI=1S/C24H37N3O.C23H36N4O.2C23H35N3O2.C23H28N2O2.C23H30N2.C22H29N3.C21H29NO2.C20H29N5/c1-17(13-14-23(2,3)4)25-22(28)21-15-19(16-27(21)8)18-9-11-20(12-10-18)26-24(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/h9-12,15-17,26H,13-14H2,1-8H3,(H,25,28);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;;16-;;;;;;/m..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]-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?
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 has a molecular weight of 3240.70 g/mol, XLogP of 48.37, 41 rotatable bonds, 16 hydrogen bond donors, and 28 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]-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 is sourced from PubChem (CID 167599676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).