2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid

C18H18N2O3 — CID 82223488

IUPAC2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1cccn2c(CC(=O)O)c(Cc3cccc(C)c3)nc12
InChIInChI=1S/C18H18N2O3/c1-12-5-3-6-13(9-12)10-14-15(11-17(21)22)20-8-4-7-16(23-2)18(20)19-14/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeySUUIMQZLNYVUDG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds5

About 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 82223488) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID82223488
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1cccn2c(CC(=O)O)c(Cc3cccc(C)c3)nc12
InChIInChI=1S/C18H18N2O3/c1-12-5-3-6-13(9-12)10-14-15(11-17(21)22)20-8-4-7-16(23-2)18(20)19-14/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeySUUIMQZLNYVUDG-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82294163
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
(8-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 115018583
(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 94964072
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
2-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990309
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368774

Frequently Asked Questions

What is the IUPAC name of 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 82223488) is 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid is COc1cccn2c(CC(=O)O)c(Cc3cccc(C)c3)nc12.
What is the InChIKey of 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is SUUIMQZLNYVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-3-6-13(9-12)10-14-15(11-17(21)22)20-8-4-7-16(23-2)18(20)19-14/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 82223488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).