3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid

C15H20N2O2 — CID 146483780

IUPAC3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid
SMILESCC(C)(C)N1C=C(C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)17-10-13(14(18)19)16(11-17)9-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,18,19)
InChIKeyBOADSDYKLAXJTE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.49
Rot. Bonds3

About 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid

3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid (PubChem CID 146483780) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid
PubChem CID146483780
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid
SMILESCC(C)(C)N1C=C(C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)17-10-13(14(18)19)16(11-17)9-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,18,19)
InChIKeyBOADSDYKLAXJTE-UHFFFAOYSA-N
XLogP2.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-1-tert-butyl-2H-imidazole-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

1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
CID 173073256
3-acetyl-1-benzylazetidin-2-one
CID 13222627
1-benzyl-4-tert-butylpiperazine
CID 3591937
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
tert-butyl (3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 101479674
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1-benzyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 141343948
4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid
CID 170157018
tert-butyl 1,3-dibenzyl-2-oxopyrrolidine-3-carboxylate
CID 142723670
2-[(1-benzyl-3-methyl-2,4-dioxopyrrolidin-3-yl)methyl]benzoic acid
CID 68547240
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid?
The IUPAC name of 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid (CID 146483780) is 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid is CC(C)(C)N1C=C(C(=O)O)N(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid?
The InChIKey is BOADSDYKLAXJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)17-10-13(14(18)19)16(11-17)9-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid?
3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-tert-butyl-2H-imidazole-4-carboxylic acid is sourced from PubChem (CID 146483780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).