deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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

C87H102N18O16 — CID 158198694

IUPACdeuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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
SMILESCC.CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn(C)n2)cc1.[2H]C.[2H]OC
InChIInChI=1S/C30H32N6O6.C29H30N6O6.C24H26N6O3.C2H6.CH4O.CH4/c1-6-9-24-31-26(30(3,4)39)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(5)33-27;1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26;1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22;2*1-2;/h7-8,10-15,39H,6,9,16-17H2,1-5H3;6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34);5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29);1-2H3;2H,1H3;1H4/i;;;;2D;1D
InChIKeyGAQWAZUEROWDHJ-FUMFBBMPSA-N
MW1657.90 g/mol
LogP13.28
Rot. Bonds28

About deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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

deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 (PubChem CID 158198694) has the molecular formula C87H102N18O16 and a molecular weight of 1657.90 g/mol. Its IUPAC name is deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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.

Molecular Properties

Compound Namedeuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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
PubChem CID158198694
Molecular FormulaC87H102N18O16
Molecular Weight1657.90 g/mol
Exact Mass1656.78
IUPAC Namedeuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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
SMILESCC.CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn(C)n2)cc1.[2H]C.[2H]OC
InChIInChI=1S/C30H32N6O6.C29H30N6O6.C24H26N6O3.C2H6.CH4O.CH4/c1-6-9-24-31-26(30(3,4)39)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(5)33-27;1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26;1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22;2*1-2;/h7-8,10-15,39H,6,9,16-17H2,1-5H3;6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34);5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29);1-2H3;2H,1H3;1H4/i;;;;2D;1D
InChIKeyGAQWAZUEROWDHJ-FUMFBBMPSA-N
XLogP13.28
TPSA463.50 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001657.90
LogP ≤ 513.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 with MolForge

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Related Compounds

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19036090
[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
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-nitrosotetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
CID 175678781
[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;(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 157288611
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;(5-methyl-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
CID 159914453
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
CID 135266069
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-[2-(N'-hydrazinylcarbamimidoyl)phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate
CID 148712702
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-[2-(1,2-dihydro-1,2,3,5-tetrazin-6-yl)phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate
CID 132601875
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-[2-[2-[1-[3-(dihydroxyamino)oxypropoxycarbonyloxy]ethyl]tetrazol-5-yl]phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate
CID 70324707
ethoxycarbonyloxymethyl 5-(2-hydroxypropan-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) 2-butyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl) 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 158991046
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-[2-[2-[1-[5-(dihydroxyamino)oxypentoxycarbonyloxy]ethyl]tetrazol-5-yl]phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate
CID 70325231
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-(hydroxymethyl)-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 70223808

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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?
The IUPAC name of deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 (CID 158198694) is deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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.
What is the SMILES notation for deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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?
The canonical SMILES for deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 is CC.CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn(C)n2)cc1.[2H]C.[2H]OC.
What is the InChIKey of deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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?
The InChIKey is GAQWAZUEROWDHJ-FUMFBBMPSA-N. The full InChI is InChI=1S/C30H32N6O6.C29H30N6O6.C24H26N6O3.C2H6.CH4O.CH4/c1-6-9-24-31-26(30(3,4)39)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(5)33-27;1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26;1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22;2*1-2;/h7-8,10-15,39H,6,9,16-17H2,1-5H3;6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34);5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29);1-2H3;2H,1H3;1H4/i;;;;2D;1D.
What are the key properties of deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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?
deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 has a molecular weight of 1657.90 g/mol, XLogP of 13.28, 28 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;deuteriooxymethane;ethane;5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate;(5-methyl-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 is sourced from PubChem (CID 158198694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).