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

C26H23N7O4 — CID 14962855

IUPAC5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2cccc2C(=O)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H23N7O4/c1-2-6-21-27-24(32-14-5-9-20(32)25(34)35)22(26(36)37)33(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-28-30-31-29-23/h3-5,7-14H,2,6,15H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31)
InChIKeyRFIZBGGCOVRMMX-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.92
Rot. Bonds9

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

5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 14962855) has the molecular formula C26H23N7O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
PubChem CID14962855
Molecular FormulaC26H23N7O4
Molecular Weight497.52 g/mol
Exact Mass497.18
IUPAC Name5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2cccc2C(=O)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H23N7O4/c1-2-6-21-27-24(32-14-5-9-20(32)25(34)35)22(26(36)37)33(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-28-30-31-29-23/h3-5,7-14H,2,6,15H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31)
InChIKeyRFIZBGGCOVRMMX-UHFFFAOYSA-N
XLogP3.92
TPSA151.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 14962855) is 5-(2-carboxypyrrol-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-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is CCCc1nc(-n2cccc2C(=O)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The InChIKey is RFIZBGGCOVRMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O4/c1-2-6-21-27-24(32-14-5-9-20(32)25(34)35)22(26(36)37)33(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-28-30-31-29-23/h3-5,7-14H,2,6,15H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31).
What are the key properties of 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 497.52 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 14962855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).