2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

C22H24N2O2 — CID 46881644

IUPAC2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESCC(C)(C)c1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)19-14-23-20(24-19)13-10-15-8-11-16(12-9-15)17-6-4-5-7-18(17)21(25)26/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyVDNWHLNMZRYNKW-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.86
Rot. Bonds5

About 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46881644) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46881644
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESCC(C)(C)c1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)19-14-23-20(24-19)13-10-15-8-11-16(12-9-15)17-6-4-5-7-18(17)21(25)26/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyVDNWHLNMZRYNKW-UHFFFAOYSA-N
XLogP4.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46881644) is 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is CC(C)(C)c1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is VDNWHLNMZRYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)19-14-23-20(24-19)13-10-15-8-11-16(12-9-15)17-6-4-5-7-18(17)21(25)26/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 348.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-tert-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).