1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate

C108H106Cl3N25O15S — CID 158701898

About 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate

1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate (PubChem CID 158701898) has the molecular formula C108H106Cl3N25O15S and a molecular weight of 2132.62 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate.

Molecular Properties

• Compound Name: 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate
• PubChem CID: 158701898
• Molecular Formula: C108H106Cl3N25O15S
• Molecular Weight: 2132.62 g/mol
• Exact Mass: 2129.71
• IUPAC Name: 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate
• SMILES: Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3ncc[nH]3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3nccs3)n2)c1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCC1CCCN1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCc1ccc[nH]1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCc1ccccn1
• InChI: InChI=1S/C21H22N4O3.C19H21N5O3.C19H20N4O3S.C17H13ClN4O2.C16H17ClN4O2.C16H13ClN4O2/c1-15(2)28-19-11-16(3)10-17(12-19)21-23-14-25(24-21)9-7-20(26)27-13-18-6-4-5-8-22-18;1-13(2)27-16-9-14(3)8-15(10-16)19-22-12-24(23-19)7-4-18(25)26-11-17-20-5-6-21-17;1-13(2)26-16-9-14(3)8-15(10-16)19-21-12-23(22-19)6-4-18(24)25-11-17-20-5-7-27-17;18-14-5-3-4-13(10-14)17-20-12-22(21-17)9-7-16(23)24-11-15-6-1-2-8-19-15;2*17-13-4-1-3-12(9-13)16-19-11-21(20-16)8-6-15(22)23-10-14-5-2-7-18-14/h4-12,14-15H,13H2,1-3H3;4-10,12-13H,11H2,1-3H3,(H,20,21);4-10,12-13H,11H2,1-3H3;1-10,12H,11H2;1,3-4,6,8-9,11,14,18H,2,5,7,10H2;1-9,11,18H,10H2/b9-7-;7-4-;6-4-;9-7-;2*8-6-
• InChIKey: IHQKIJDRUDICHC-SPDBMUBVSA-N
• XLogP: 19.05
• TPSA: 464.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.62
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The IUPAC name of 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate (CID 158701898) is 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate.

What is the SMILES notation for 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The canonical SMILES for 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate is Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3ncc[nH]3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OCc3nccs3)n2)c1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCC1CCCN1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCc1ccc[nH]1.O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCc1ccccn1.

What is the InChIKey of 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

The InChIKey is IHQKIJDRUDICHC-SPDBMUBVSA-N. The full InChI is InChI=1S/C21H22N4O3.C19H21N5O3.C19H20N4O3S.C17H13ClN4O2.C16H17ClN4O2.C16H13ClN4O2/c1-15(2)28-19-11-16(3)10-17(12-19)21-23-14-25(24-21)9-7-20(26)27-13-18-6-4-5-8-22-18;1-13(2)27-16-9-14(3)8-15(10-16)19-22-12-24(23-19)7-4-18(25)26-11-17-20-5-6-21-17;1-13(2)26-16-9-14(3)8-15(10-16)19-21-12-23(22-19)6-4-18(24)25-11-17-20-5-7-27-17;18-14-5-3-4-13(10-14)17-20-12-22(21-17)9-7-16(23)24-11-15-6-1-2-8-19-15;2*17-13-4-1-3-12(9-13)16-19-11-21(20-16)8-6-15(22)23-10-14-5-2-7-18-14/h4-12,14-15H,13H2,1-3H3;4-10,12-13H,11H2,1-3H3,(H,20,21);4-10,12-13H,11H2,1-3H3;1-10,12H,11H2;1,3-4,6,8-9,11,14,18H,2,5,7,10H2;1-9,11,18H,10H2/b9-7-;7-4-;6-4-;9-7-;2*8-6-.

What are the key properties of 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate?

1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate has a molecular weight of 2132.62 g/mol, XLogP of 19.05, 36 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyridin-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;pyrrolidin-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1H-pyrrol-2-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate;1,3-thiazol-2-ylmethyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate is sourced from PubChem (CID 158701898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).