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

C15H14N2 — CID 177207982

IUPAC2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC#Cc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14N2/c1-2-12-6-8-13(9-7-12)14-11-17-10-4-3-5-15(17)16-14/h1,6-9,11H,3-5,10H2
InChIKeyPBKDRIQDKZBSDI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.87
Rot. Bonds1

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

2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 177207982) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID177207982
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC#Cc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14N2/c1-2-12-6-8-13(9-7-12)14-11-17-10-4-3-5-15(17)16-14/h1,6-9,11H,3-5,10H2
InChIKeyPBKDRIQDKZBSDI-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 177207982) is 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is C#Cc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is PBKDRIQDKZBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-12-6-8-13(9-7-12)14-11-17-10-4-3-5-15(17)16-14/h1,6-9,11H,3-5,10H2.
What are the key properties of 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 222.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 177207982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).