2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid

C15H13N3O2 — CID 82304788

IUPAC2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
SMILESCc1ccc(-c2nc3ncccn3c2CC(=O)O)cc1
InChIInChI=1S/C15H13N3O2/c1-10-3-5-11(6-4-10)14-12(9-13(19)20)18-8-2-7-16-15(18)17-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRHXQJIHDYIZQSY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.33
Rot. Bonds3

About 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid

2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid (PubChem CID 82304788) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
PubChem CID82304788
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
SMILESCc1ccc(-c2nc3ncccn3c2CC(=O)O)cc1
InChIInChI=1S/C15H13N3O2/c1-10-3-5-11(6-4-10)14-12(9-13(19)20)18-8-2-7-16-15(18)17-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRHXQJIHDYIZQSY-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic 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

2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82298177
2-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83832770
2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83837011
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)ethanamine
CID 82292189
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 20952793
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanone
CID 175895866
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 95475392
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82299531
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid (CID 82304788) is 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid is Cc1ccc(-c2nc3ncccn3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid?
The InChIKey is RHXQJIHDYIZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-3-5-11(6-4-10)14-12(9-13(19)20)18-8-2-7-16-15(18)17-14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid?
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 82304788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).