[5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C91H101ClN18O17 — CID 158209016

About [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

[5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (PubChem CID 158209016) has the molecular formula C91H101ClN18O17 and a molecular weight of 1754.37 g/mol. Its IUPAC name is [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

• Compound Name: [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• PubChem CID: 158209016
• Molecular Formula: C91H101ClN18O17
• Molecular Weight: 1754.37 g/mol
• Exact Mass: 1752.73
• IUPAC Name: [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• SMILES: C.C.C.C=C(C)c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OCc1oc(=O)oc1C.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2CCl)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)OC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C30H32N6O6.C29H29ClN6O6.C29H28N6O5.3CH4/c1-6-9-24-31-26(30(3,4)39-5)25(28(37)40-17-23-18(2)41-29(38)42-23)36(24)16-19-12-14-20(15-13-19)21-10-7-8-11-22(21)27-32-34-35-33-27;1-4-7-23-31-25(29(2,3)39)24(27(37)40-16-22-21(14-30)41-28(38)42-22)36(23)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)26-32-34-35-33-26;1-5-8-24-30-25(17(2)3)26(28(36)38-16-23-18(4)39-29(37)40-23)35(24)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)27-31-33-34-32-27;;;/h7-8,10-15H,6,9,16-17H2,1-5H3,(H,32,33,34,35);5-6,8-13,39H,4,7,14-16H2,1-3H3,(H,32,33,34,35);6-7,9-14H,2,5,8,15-16H2,1,3-4H3,(H,31,32,33,34);3*1H4
• InChIKey: GBVMHGDVZJBKFT-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 455.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1754.37
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The IUPAC name of [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (CID 158209016) is [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

What is the SMILES notation for [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The canonical SMILES for [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is C.C.C.C=C(C)c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OCc1oc(=O)oc1C.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2CCl)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)OC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The InChIKey is GBVMHGDVZJBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O6.C29H29ClN6O6.C29H28N6O5.3CH4/c1-6-9-24-31-26(30(3,4)39-5)25(28(37)40-17-23-18(2)41-29(38)42-23)36(24)16-19-12-14-20(15-13-19)21-10-7-8-11-22(21)27-32-34-35-33-27;1-4-7-23-31-25(29(2,3)39)24(27(37)40-16-22-21(14-30)41-28(38)42-22)36(23)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)26-32-34-35-33-26;1-5-8-24-30-25(17(2)3)26(28(36)38-16-23-18(4)39-29(37)40-23)35(24)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)27-31-33-34-32-27;;;/h7-8,10-15H,6,9,16-17H2,1-5H3,(H,32,33,34,35);5-6,8-13,39H,4,7,14-16H2,1-3H3,(H,32,33,34,35);6-7,9-14H,2,5,8,15-16H2,1,3-4H3,(H,31,32,33,34);3*1H4.

What are the key properties of [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

[5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 1754.37 g/mol, XLogP of 16.31, 32 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(chloromethyl)-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 158209016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).