3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid

C24H20BrClN6O3 — CID 67944768

IUPAC3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
SMILESCCCCc1nc(Cl)c(C(=O)O)n1Cc1c2ccocc-2cc1-c1c(Br)cccc1-c1nn[nH]n1
InChIInChI=1S/C24H20BrClN6O3/c1-2-3-7-19-27-22(26)21(24(33)34)32(19)11-17-14-8-9-35-12-13(14)10-16(17)20-15(5-4-6-18(20)25)23-28-30-31-29-23/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,33,34)(H,28,29,30,31)
InChIKeyOULRQJNHFPFZEN-UHFFFAOYSA-N
MW555.82 g/mol
LogP5.93
Rot. Bonds8

About 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid

3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid (PubChem CID 67944768) has the molecular formula C24H20BrClN6O3 and a molecular weight of 555.82 g/mol. Its IUPAC name is 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
PubChem CID67944768
Molecular FormulaC24H20BrClN6O3
Molecular Weight555.82 g/mol
Exact Mass554.05
IUPAC Name3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
SMILESCCCCc1nc(Cl)c(C(=O)O)n1Cc1c2ccocc-2cc1-c1c(Br)cccc1-c1nn[nH]n1
InChIInChI=1S/C24H20BrClN6O3/c1-2-3-7-19-27-22(26)21(24(33)34)32(19)11-17-14-8-9-35-12-13(14)10-16(17)20-15(5-4-6-18(20)25)23-28-30-31-29-23/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,33,34)(H,28,29,30,31)
InChIKeyOULRQJNHFPFZEN-UHFFFAOYSA-N
XLogP5.93
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.82
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
2-butyl-5-chloro-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)cyclopenta[c]pyran-5-yl]methyl]imidazole-4-carboxylic acid
CID 67822983
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
1-acetyloxyethyl 3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate
CID 57064848
3-[[4-[5-(4-acetylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
CID 167709541
2-butyl-5-chloro-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazole-4-carboxylic acid
CID 19925908
2-butyl-5-chloro-3-[[4-[5-(1-methylpyrrol-3-yl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 167709539
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-(cyclopropylmethyl)imidazole-4-carboxylic acid
CID 67621563
2-butyl-5-chloro-3-[[4-[5-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 138744189
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-cyclopropylimidazole-4-carboxylic acid
CID 67619824
2-butyl-5-chloro-3-[[4-[5-(3,3-difluoropiperidin-1-yl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 138707473
3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 67822792

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid?
The IUPAC name of 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid (CID 67944768) is 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid?
The canonical SMILES for 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid is CCCCc1nc(Cl)c(C(=O)O)n1Cc1c2ccocc-2cc1-c1c(Br)cccc1-c1nn[nH]n1.
What is the InChIKey of 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid?
The InChIKey is OULRQJNHFPFZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClN6O3/c1-2-3-7-19-27-22(26)21(24(33)34)32(19)11-17-14-8-9-35-12-13(14)10-16(17)20-15(5-4-6-18(20)25)23-28-30-31-29-23/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,33,34)(H,28,29,30,31).
What are the key properties of 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid?
3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid has a molecular weight of 555.82 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-bromo-6-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid is sourced from PubChem (CID 67944768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).