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

C26H23N7O4 — CID 14962865

IUPAC5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2ccc(C(=O)O)c2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H23N7O4/c1-2-5-21-27-24(32-13-12-18(15-32)25(34)35)22(26(36)37)33(21)14-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-28-30-31-29-23/h3-4,6-13,15H,2,5,14H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31)
InChIKeyIDKHOMICJTUNEW-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.92
Rot. Bonds9

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

5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 14962865) has the molecular formula C26H23N7O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is 5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
PubChem CID14962865
Molecular FormulaC26H23N7O4
Molecular Weight497.52 g/mol
Exact Mass497.18
IUPAC Name5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2ccc(C(=O)O)c2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H23N7O4/c1-2-5-21-27-24(32-13-12-18(15-32)25(34)35)22(26(36)37)33(21)14-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-28-30-31-29-23/h3-4,6-13,15H,2,5,14H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31)
InChIKeyIDKHOMICJTUNEW-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-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 14962865) is 5-(3-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-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is CCCc1nc(-n2ccc(C(=O)O)c2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The InChIKey is IDKHOMICJTUNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O4/c1-2-5-21-27-24(32-13-12-18(15-32)25(34)35)22(26(36)37)33(21)14-16-8-10-17(11-9-16)19-6-3-4-7-20(19)23-28-30-31-29-23/h3-4,6-13,15H,2,5,14H2,1H3,(H,34,35)(H,36,37)(H,28,29,30,31).
What are the key properties of 5-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
5-(3-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-(3-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 14962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).