2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid

C17H15ClN2O2 — CID 18671711

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H15ClN2O2/c1-2-13(17(21)22)16-15(11-6-8-12(18)9-7-11)19-14-5-3-4-10-20(14)16/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeyOABPHDRUKRKABV-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.23
Rot. Bonds4

About 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid (PubChem CID 18671711) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
PubChem CID18671711
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H15ClN2O2/c1-2-13(17(21)22)16-15(11-6-8-12(18)9-7-11)19-14-5-3-4-10-20(14)16/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeyOABPHDRUKRKABV-UHFFFAOYSA-N
XLogP4.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 42694065
2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 151437228
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylbutanamide
CID 135020833
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
2-chloro-N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 20681433
(2R)-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 93016839
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53036628
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 95056650
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42693738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid (CID 18671711) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid is CCC(C(=O)O)c1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The InChIKey is OABPHDRUKRKABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-13(17(21)22)16-15(11-6-8-12(18)9-7-11)19-14-5-3-4-10-20(14)16/h3-10,13H,2H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid has a molecular weight of 314.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 18671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).