5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

C29H31N7O2 — CID 14962859

About 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 14962859) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
• PubChem CID: 14962859
• Molecular Formula: C29H31N7O2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.25
• IUPAC Name: 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
• SMILES: CCCc1nc(-n2c(C)ccc2CCC)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C29H31N7O2/c1-4-8-22-17-12-19(3)36(22)28-26(29(37)38)35(25(30-28)9-5-2)18-20-13-15-21(16-14-20)23-10-6-7-11-24(23)27-31-33-34-32-27/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,37,38)(H,31,32,33,34)
• InChIKey: NECIUZYXFSKCQQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 114.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The IUPAC name of 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 14962859) is 5-(2-methyl-5-propylpyrrol-1-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-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The canonical SMILES for 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is CCCc1nc(-n2c(C)ccc2CCC)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

The InChIKey is NECIUZYXFSKCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-4-8-22-17-12-19(3)36(22)28-26(29(37)38)35(25(30-28)9-5-2)18-20-13-15-21(16-14-20)23-10-6-7-11-24(23)27-31-33-34-32-27/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,37,38)(H,31,32,33,34).

What are the key properties of 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?

5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 509.61 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 14962859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).