[4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole

C145H160ClN13O18 — CID 161452218

About [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole

[4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole (PubChem CID 161452218) has the molecular formula C145H160ClN13O18 and a molecular weight of 2408.40 g/mol. Its IUPAC name is [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole.

Molecular Properties

• Compound Name: [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole
• PubChem CID: 161452218
• Molecular Formula: C145H160ClN13O18
• Molecular Weight: 2408.40 g/mol
• Exact Mass: 2406.17
• IUPAC Name: [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole
• SMILES: CCCCC(=O)N(Cc1ccc(-c2ccccc2C)cc1)C(C(=O)O)C(C)C.CCCCC1=CC(Cl)=C(CO)C1Cc1ccc(-c2ccccc2C)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2C)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C)cc1.Cc1nn[nH]n1
• InChI: InChI=1S/C33H30N4O2.C33H36N2O6.C29H32N2O6.C24H27ClO.C24H31NO3.C2H4N4/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39;1-4-38-32-34-29-16-10-15-28(31(36)39-23(3)40-33(37)41-26-12-6-5-7-13-26)30(29)35(32)21-24-17-19-25(20-18-24)27-14-9-8-11-22(27)2;1-6-9-24-30-26(29(4,5)34)25(27(32)35-17-23-19(3)36-28(33)37-23)31(24)16-20-12-14-21(15-13-20)22-11-8-7-10-18(22)2;1-3-4-8-20-15-24(25)23(16-26)22(20)14-18-10-12-19(13-11-18)21-9-6-5-7-17(21)2;1-5-6-11-22(26)25(23(17(2)3)24(27)28)16-19-12-14-20(15-13-19)21-10-8-7-9-18(21)4;1-2-3-5-6-4-2/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39);8-11,14-20,23,26H,4-7,12-13,21H2,1-3H3;7-8,10-15,34H,6,9,16-17H2,1-5H3;5-7,9-13,15,22,26H,3-4,8,14,16H2,1-2H3;7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,27,28);1H3,(H,3,4,5,6)
• InChIKey: WARHAGSCZOQBSV-UHFFFAOYSA-N
• XLogP: 31.24
• TPSA: 401.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.40
LogP ≤ 5	31.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole?

The IUPAC name of [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole (CID 161452218) is [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole.

What is the SMILES notation for [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole?

The canonical SMILES for [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole is CCCCC(=O)N(Cc1ccc(-c2ccccc2C)cc1)C(C(=O)O)C(C)C.CCCCC1=CC(Cl)=C(CO)C1Cc1ccc(-c2ccccc2C)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2C)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C)cc1.Cc1nn[nH]n1.

What is the InChIKey of [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole?

The InChIKey is WARHAGSCZOQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O2.C33H36N2O6.C29H32N2O6.C24H27ClO.C24H31NO3.C2H4N4/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39;1-4-38-32-34-29-16-10-15-28(31(36)39-23(3)40-33(37)41-26-12-6-5-7-13-26)30(29)35(32)21-24-17-19-25(20-18-24)27-14-9-8-11-22(27)2;1-6-9-24-30-26(29(4,5)34)25(27(32)35-17-23-19(3)36-28(33)37-23)31(24)16-20-12-14-21(15-13-20)22-11-8-7-10-18(22)2;1-3-4-8-20-15-24(25)23(16-26)22(20)14-18-10-12-19(13-11-18)21-9-6-5-7-17(21)2;1-5-6-11-22(26)25(23(17(2)3)24(27)28)16-19-12-14-20(15-13-19)21-10-8-7-9-18(21)4;1-2-3-5-6-4-2/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39);8-11,14-20,23,26H,4-7,12-13,21H2,1-3H3;7-8,10-15,34H,6,9,16-17H2,1-5H3;5-7,9-13,15,22,26H,3-4,8,14,16H2,1-2H3;7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,27,28);1H3,(H,3,4,5,6).

What are the key properties of [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole?

[4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole has a molecular weight of 2408.40 g/mol, XLogP of 31.24, 41 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [4-butyl-2-chloro-5-[[4-(2-methylphenyl)phenyl]methyl]cyclopenta-1,3-dien-1-yl]methanol;1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-(2-methylphenyl)phenyl]methyl]benzimidazole-4-carboxylate;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[[4-(2-methylphenyl)phenyl]methyl-pentanoylamino]butanoic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylate;5-methyl-2H-tetrazole is sourced from PubChem (CID 161452218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).