2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid

C23H26N2O3 — CID 19422640

IUPAC2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
InChIKeyUCZAVAIIJNHGIP-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.76
Rot. Bonds7

About 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 19422640) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID19422640
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
InChIKeyUCZAVAIIJNHGIP-UHFFFAOYSA-N
XLogP4.76
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]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-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid (CID 19422640) is 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid is CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is UCZAVAIIJNHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 378.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 19422640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).