2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C15H15ClN2O2 — CID 117153410

IUPAC2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(Cc3ccc(Cl)cc3)cn2C1
InChIInChI=1S/C15H15ClN2O2/c16-12-4-1-10(2-5-12)7-13-9-18-8-11(15(19)20)3-6-14(18)17-13/h1-2,4-5,9,11H,3,6-8H2,(H,19,20)
InChIKeyUMTGIYVYRLEKPY-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.77
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117153410) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117153410
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(Cc3ccc(Cl)cc3)cn2C1
InChIInChI=1S/C15H15ClN2O2/c16-12-4-1-10(2-5-12)7-13-9-18-8-11(15(19)20)3-6-14(18)17-13/h1-2,4-5,9,11H,3,6-8H2,(H,19,20)
InChIKeyUMTGIYVYRLEKPY-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 117154485
[2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153628
2-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153234
2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153230
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 117156975
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 117154470
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
CID 138040505
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128226
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156073
2-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153259
2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 117153410) is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2nc(Cc3ccc(Cl)cc3)cn2C1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is UMTGIYVYRLEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-4-1-10(2-5-12)7-13-9-18-8-11(15(19)20)3-6-14(18)17-13/h1-2,4-5,9,11H,3,6-8H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).