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

C15H15ClN2O2 — CID 117128251

IUPACmethyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2cc(-c3ccccc3Cl)nc21
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyQAIWHJQTOBEGPK-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.25
Rot. Bonds2

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

methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117128251) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117128251
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2cc(-c3ccccc3Cl)nc21
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyQAIWHJQTOBEGPK-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (CID 117128251) is methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)C1CCCn2cc(-c3ccccc3Cl)nc21.
What is the InChIKey of methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is QAIWHJQTOBEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117128251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).