3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C18H17ClN2O2 — CID 39195760

IUPAC3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2CCC(=O)O)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-3-4-13(9-12(11)2)18-15(6-8-17(22)23)21-10-14(19)5-7-16(21)20-18/h3-5,7,9-10H,6,8H2,1-2H3,(H,22,23)
InChIKeyJMPYENAOJIAUDF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.29
Rot. Bonds4

About 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 39195760) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID39195760
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2CCC(=O)O)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-3-4-13(9-12(11)2)18-15(6-8-17(22)23)21-10-14(19)5-7-16(21)20-18/h3-5,7,9-10H,6,8H2,1-2H3,(H,22,23)
InChIKeyJMPYENAOJIAUDF-UHFFFAOYSA-N
XLogP4.29
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 39195760) is 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is Cc1ccc(-c2nc3ccc(Cl)cn3c2CCC(=O)O)cc1C.
What is the InChIKey of 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is JMPYENAOJIAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-3-4-13(9-12(11)2)18-15(6-8-17(22)23)21-10-14(19)5-7-16(21)20-18/h3-5,7,9-10H,6,8H2,1-2H3,(H,22,23).
What are the key properties of 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 328.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 39195760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).