2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C15H17N3O3 — CID 142022577

IUPAC2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCCc1ccccc1O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O3/c19-14-4-2-1-3-11(14)6-8-21-15(20)18-7-5-12-13(9-18)17-10-16-12/h1-4,10,19H,5-9H2,(H,16,17)
InChIKeySKLRGUDSLWZVJU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 142022577) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID142022577
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCCc1ccccc1O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O3/c19-14-4-2-1-3-11(14)6-8-21-15(20)18-7-5-12-13(9-18)17-10-16-12/h1-4,10,19H,5-9H2,(H,16,17)
InChIKeySKLRGUDSLWZVJU-UHFFFAOYSA-N
XLogP1.85
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 142022577) is 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is O=C(OCCc1ccccc1O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is SKLRGUDSLWZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-4-2-1-3-11(14)6-8-21-15(20)18-7-5-12-13(9-18)17-10-16-12/h1-4,10,19H,5-9H2,(H,16,17).
What are the key properties of 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 142022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).