(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate

C30H34N6O6 — CID 68946706

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate (PubChem CID 68946706) has the molecular formula C30H34N6O6 and a molecular weight of 574.64 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate.

Molecular Properties

• Compound Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate
• PubChem CID: 68946706
• Molecular Formula: C30H34N6O6
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.25
• IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate
• SMILES: CCCCC1(C(=O)OCc2oc(=O)oc2C)NC(C(C)(C)O)=C(C)N1c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C30H34N6O6/c1-6-7-16-30(27(37)40-17-24-19(3)41-28(38)42-24)31-25(29(4,5)39)18(2)36(30)21-14-12-20(13-15-21)22-10-8-9-11-23(22)26-32-34-35-33-26/h8-15,31,39H,6-7,16-17H2,1-5H3,(H,32,33,34,35)
• InChIKey: RHLFAJJRMRGZOP-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 159.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate?

The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate (CID 68946706) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate.

What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate?

The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate is CCCCC1(C(=O)OCc2oc(=O)oc2C)NC(C(C)(C)O)=C(C)N1c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate?

The InChIKey is RHLFAJJRMRGZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O6/c1-6-7-16-30(27(37)40-17-24-19(3)41-28(38)42-24)31-25(29(4,5)39)18(2)36(30)21-14-12-20(13-15-21)22-10-8-9-11-23(22)26-32-34-35-33-26/h8-15,31,39H,6-7,16-17H2,1-5H3,(H,32,33,34,35).

What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate?

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate has a molecular weight of 574.64 g/mol, XLogP of 4.43, 10 rotatable bonds, 3 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 2-butyl-5-(2-hydroxypropan-2-yl)-4-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1H-imidazole-2-carboxylate is sourced from PubChem (CID 68946706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).