2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride

C17H17ClN2O2 — CID 74889750

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17;/h3-8,10H,9H2,1-2H3,(H,20,21);1H
InChIKeyOYSGFKJGHCBAGC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.67
Rot. Bonds3

About 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride (PubChem CID 74889750) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
PubChem CID74889750
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17;/h3-8,10H,9H2,1-2H3,(H,20,21);1H
InChIKeyOYSGFKJGHCBAGC-UHFFFAOYSA-N
XLogP3.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
CID 77342331
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-methylthiadiazol-5-yl)ethanone
CID 11302942
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 13259020
N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023546
1-(2,5-dimethylpyrazol-3-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 11268346
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060605

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride (CID 74889750) is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cl.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride?
The InChIKey is OYSGFKJGHCBAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17;/h3-8,10H,9H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride?
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride is sourced from PubChem (CID 74889750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).