5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

C32H34N6O4 — CID 171379250

About 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 171379250) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
• PubChem CID: 171379250
• Molecular Formula: C32H34N6O4
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.26
• IUPAC Name: 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
• SMILES: CCCc1nc(C(C)(C)OCc2ccc(OC)cc2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C32H34N6O4/c1-5-8-27-33-29(32(2,3)42-20-22-13-17-24(41-4)18-14-22)28(31(39)40)38(27)19-21-11-15-23(16-12-21)25-9-6-7-10-26(25)30-34-36-37-35-30/h6-7,9-18H,5,8,19-20H2,1-4H3,(H,39,40)(H,34,35,36,37)
• InChIKey: JOLXNSISXGUYRA-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 128.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The IUPAC name of 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 171379250) is 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

What is the SMILES notation for 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The canonical SMILES for 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is CCCc1nc(C(C)(C)OCc2ccc(OC)cc2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The InChIKey is JOLXNSISXGUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-5-8-27-33-29(32(2,3)42-20-22-13-17-24(41-4)18-14-22)28(31(39)40)38(27)19-21-11-15-23(16-12-21)25-9-6-7-10-26(25)30-34-36-37-35-30/h6-7,9-18H,5,8,19-20H2,1-4H3,(H,39,40)(H,34,35,36,37).

What are the key properties of 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 566.66 g/mol, XLogP of 5.89, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 171379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).