2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide

C172H204ClN21O5S2 — CID 172963096

About 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide

2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide (PubChem CID 172963096) has the molecular formula C172H204ClN21O5S2 and a molecular weight of 2745.25 g/mol. Its IUPAC name is 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide.

Molecular Properties

• Compound Name: 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide
• PubChem CID: 172963096
• Molecular Formula: C172H204ClN21O5S2
• Molecular Weight: 2745.25 g/mol
• Exact Mass: 2742.55
• IUPAC Name: 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide
• SMILES: CCCCc1nc(Cl)c(C(C)(C)C)n1Cc1ccc(-c2ccccc2C2=NCN=C2)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(C)(C)C)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(C)(C)C)n1Cc1ccc(C(C)=O)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(C)(C)C)cc1.CCOc1nc2cccc(C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.[H]/N=C(\C=N/N)c1ccccc1-c1ccc(CN(C(=O)CCCC)[C@@H](C(C)C)C(C)(C)C)cc1
• InChI: InChI=1S/C36H38N4.C28H29N5O.C28H40N4O.C27H31ClN4.C27H34N2OS.C26H32N2O2S/c1-7-12-33-38-34-24(2)21-27(35-37-30-15-10-11-16-31(30)39(35)6)22-32(34)40(33)23-25-17-19-26(20-18-25)28-13-8-9-14-29(28)36(3,4)5;1-5-34-27-30-24-12-8-11-23(28(2,3)4)26(24)33(27)18-19-13-15-20(16-14-19)21-9-6-7-10-22(21)25-17-29-32-31-25;1-7-8-13-26(33)32(27(20(2)3)28(4,5)6)19-21-14-16-22(17-15-21)23-11-9-10-12-24(23)25(29)18-31-30;1-5-6-11-24-31-26(28)25(27(2,3)4)32(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)23-16-29-18-30-23;1-6-7-10-26-28-18-24(16-23(27(3,4)5)17-25-9-8-15-31-25)29(26)19-21-11-13-22(14-12-21)20(2)30;1-5-6-9-24-27-17-22(15-20(25(29)30)16-23-8-7-14-31-23)28(24)18-19-10-12-21(13-11-19)26(2,3)4/h8-11,13-22H,7,12,23H2,1-6H3;6-17H,5,18H2,1-4H3,(H,29,31,32);9-12,14-18,20,27,29H,7-8,13,19,30H2,1-6H3;7-10,12-16H,5-6,11,17-18H2,1-4H3;8-9,11-16,18H,6-7,10,17,19H2,1-5H3;7-8,10-15,17H,5-6,9,16,18H2,1-4H3,(H,29,30)/b;;29-25+,31-18-;;23-16+;20-15+/t;;27-;;;/m..0.../s1
• InChIKey: KZRCTGCPXLWQQL-PWUBAJRMSA-N
• XLogP: 41.63
• TPSA: 319.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 47
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.25
LogP ≤ 5	41.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide?

The IUPAC name of 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide (CID 172963096) is 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide.

What is the SMILES notation for 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide?

The canonical SMILES for 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide is CCCCc1nc(Cl)c(C(C)(C)C)n1Cc1ccc(-c2ccccc2C2=NCN=C2)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(C)(C)C)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(C)(C)C)n1Cc1ccc(C(C)=O)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(C)(C)C)cc1.CCOc1nc2cccc(C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.[H]/N=C(\C=N/N)c1ccccc1-c1ccc(CN(C(=O)CCCC)[C@@H](C(C)C)C(C)(C)C)cc1.

What is the InChIKey of 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide?

The InChIKey is KZRCTGCPXLWQQL-PWUBAJRMSA-N. The full InChI is InChI=1S/C36H38N4.C28H29N5O.C28H40N4O.C27H31ClN4.C27H34N2OS.C26H32N2O2S/c1-7-12-33-38-34-24(2)21-27(35-37-30-15-10-11-16-31(30)39(35)6)22-32(34)40(33)23-25-17-19-26(20-18-25)28-13-8-9-14-29(28)36(3,4)5;1-5-34-27-30-24-12-8-11-23(28(2,3)4)26(24)33(27)18-19-13-15-20(16-14-19)21-9-6-7-10-22(21)25-17-29-32-31-25;1-7-8-13-26(33)32(27(20(2)3)28(4,5)6)19-21-14-16-22(17-15-21)23-11-9-10-12-24(23)25(29)18-31-30;1-5-6-11-24-31-26(28)25(27(2,3)4)32(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)23-16-29-18-30-23;1-6-7-10-26-28-18-24(16-23(27(3,4)5)17-25-9-8-15-31-25)29(26)19-21-11-13-22(14-12-21)20(2)30;1-5-6-9-24-27-17-22(15-20(25(29)30)16-23-8-7-14-31-23)28(24)18-19-10-12-21(13-11-19)26(2,3)4/h8-11,13-22H,7,12,23H2,1-6H3;6-17H,5,18H2,1-4H3,(H,29,31,32);9-12,14-18,20,27,29H,7-8,13,19,30H2,1-6H3;7-10,12-16H,5-6,11,17-18H2,1-4H3;8-9,11-16,18H,6-7,10,17,19H2,1-5H3;7-8,10-15,17H,5-6,9,16,18H2,1-4H3,(H,29,30)/b;;29-25+,31-18-;;23-16+;20-15+/t;;27-;;;/m..0.../s1.

What are the key properties of 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide?

2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide has a molecular weight of 2745.25 g/mol, XLogP of 41.63, 47 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-5-tert-butyl-4-chloro-1-[[4-[2-(2H-imidazol-4-yl)phenyl]phenyl]methyl]imidazole;(E)-3-[2-butyl-3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid;1-[4-[[2-butyl-5-[(E)-3,3-dimethyl-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]phenyl]ethanone;7-tert-butyl-2-ethoxy-1-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole;1-[[4-(2-tert-butylphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole;N-[[4-[2-[(2Z)-2-hydrazinylideneethanimidoyl]phenyl]phenyl]methyl]-N-[(3S)-2,2,4-trimethylpentan-3-yl]pentanamide is sourced from PubChem (CID 172963096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).