2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid

C26H24N6O3 — CID 23363057

IUPAC2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
SMILESCCCCc1nc(-c2occc2C(=O)O)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H24N6O3/c1-2-3-8-23-27-22(24-21(26(33)34)13-14-35-24)16-32(23)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,33,34)(H,28,29,30,31)
InChIKeyBCJZZWDGYLHJBH-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.08
Rot. Bonds9

About 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid

2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid (PubChem CID 23363057) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
PubChem CID23363057
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
SMILESCCCCc1nc(-c2occc2C(=O)O)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H24N6O3/c1-2-3-8-23-27-22(24-21(26(33)34)13-14-35-24)16-32(23)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,33,34)(H,28,29,30,31)
InChIKeyBCJZZWDGYLHJBH-UHFFFAOYSA-N
XLogP5.08
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate
CID 23363063
6-butyl-4-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 67791580
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
2-benzyl-N-[[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-3-sulfanylpropanamide
CID 87382305
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-3,6-dimethyl-1-oxidopyrazin-1-ium
CID 15187693
2-butyl-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-7-carboxylic acid
CID 24886966
3-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]propanoic acid
CID 10477858
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
1-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]propan-1-one
CID 19903775
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid (CID 23363057) is 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid is CCCCc1nc(-c2occc2C(=O)O)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid?
The InChIKey is BCJZZWDGYLHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-2-3-8-23-27-22(24-21(26(33)34)13-14-35-24)16-32(23)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,33,34)(H,28,29,30,31).
What are the key properties of 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid?
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid has a molecular weight of 468.52 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 23363057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).