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

C27H27N7O2 — CID 14962857

IUPAC5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2c(C)ccc2C)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H27N7O2/c1-4-7-23-28-26(34-17(2)10-11-18(34)3)24(27(35)36)33(23)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)25-29-31-32-30-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,35,36)(H,29,30,31,32)
InChIKeyLEEKGKPQQNBTMQ-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.84
Rot. Bonds8

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

5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 14962857) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
PubChem CID14962857
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESCCCc1nc(-n2c(C)ccc2C)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H27N7O2/c1-4-7-23-28-26(34-17(2)10-11-18(34)3)24(27(35)36)33(23)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)25-29-31-32-30-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,35,36)(H,29,30,31,32)
InChIKeyLEEKGKPQQNBTMQ-UHFFFAOYSA-N
XLogP4.84
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 14962857) is 5-(2,5-dimethylpyrrol-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-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is CCCc1nc(-n2c(C)ccc2C)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The InChIKey is LEEKGKPQQNBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-4-7-23-28-26(34-17(2)10-11-18(34)3)24(27(35)36)33(23)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)25-29-31-32-30-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,35,36)(H,29,30,31,32).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 481.56 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 14962857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).