(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

C27H26N6O6 — CID 70223808

About (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

(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 (PubChem CID 70223808) has the molecular formula C27H26N6O6 and a molecular weight of 530.54 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 70223808
• Molecular Formula: C27H26N6O6
• Molecular Weight: 530.54 g/mol
• Exact Mass: 530.19
• IUPAC Name: (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
• SMILES: CCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(=O)OCc2oc(=O)oc2C)n1CO
• InChI: InChI=1S/C27H26N6O6/c1-3-6-23-28-21(24(33(23)15-34)26(35)37-14-22-16(2)38-27(36)39-22)13-17-9-11-18(12-10-17)19-7-4-5-8-20(19)25-29-31-32-30-25/h4-5,7-12,34H,3,6,13-15H2,1-2H3,(H,29,30,31,32)
• InChIKey: OEYYJBYFBUJCAD-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 162.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.54
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(=O)OCc2oc(=O)oc2C)n1CO.

What is the InChIKey of (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?

The InChIKey is OEYYJBYFBUJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O6/c1-3-6-23-28-21(24(33(23)15-34)26(35)37-14-22-16(2)38-27(36)39-22)13-17-9-11-18(12-10-17)19-7-4-5-8-20(19)25-29-31-32-30-25/h4-5,7-12,34H,3,6,13-15H2,1-2H3,(H,29,30,31,32).

What are the key properties of (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?

(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 has a molecular weight of 530.54 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 70223808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).