methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate

C15H16N2O3 — CID 117128368

IUPACmethyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(-c3ccc(O)cc3)cn21
InChIInChI=1S/C15H16N2O3/c1-20-15(19)13-3-2-4-14-16-12(9-17(13)14)10-5-7-11(18)8-6-10/h5-9,13,18H,2-4H2,1H3
InChIKeyCNOZQMMLQYJYMD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate

methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117128368) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117128368
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(-c3ccc(O)cc3)cn21
InChIInChI=1S/C15H16N2O3/c1-20-15(19)13-3-2-4-14-16-12(9-17(13)14)10-5-7-11(18)8-6-10/h5-9,13,18H,2-4H2,1H3
InChIKeyCNOZQMMLQYJYMD-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate (CID 117128368) is methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate is COC(=O)C1CCCc2nc(-c3ccc(O)cc3)cn21.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is CNOZQMMLQYJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-15(19)13-3-2-4-14-16-12(9-17(13)14)10-5-7-11(18)8-6-10/h5-9,13,18H,2-4H2,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117128368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).