3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid

C20H21N3O2 — CID 71463059

IUPAC3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C20H21N3O2/c1-20(2,19(24)25)18(23-13-12-21-14-23)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-14,18,22H,1-2H3,(H,24,25)
InChIKeyKKRDUARDBIREMO-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.33
Rot. Bonds6

About 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid

3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid (PubChem CID 71463059) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid
PubChem CID71463059
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C20H21N3O2/c1-20(2,19(24)25)18(23-13-12-21-14-23)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-14,18,22H,1-2H3,(H,24,25)
InChIKeyKKRDUARDBIREMO-UHFFFAOYSA-N
XLogP4.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic 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 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid (CID 71463059) is 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1.
What is the InChIKey of 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid?
The InChIKey is KKRDUARDBIREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,19(24)25)18(23-13-12-21-14-23)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-14,18,22H,1-2H3,(H,24,25).
What are the key properties of 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid?
3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid has a molecular weight of 335.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-3-imidazol-1-yl-2,2-dimethylpropanoic acid is sourced from PubChem (CID 71463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).