2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine

C18H15N3O2 — CID 19821966

IUPAC2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESC#CCOc1ccc(-c2nc3ccncc3[nH]2)cc1OCC=C
InChIInChI=1S/C18H15N3O2/c1-3-9-22-16-6-5-13(11-17(16)23-10-4-2)18-20-14-7-8-19-12-15(14)21-18/h1,4-8,11-12H,2,9-10H2,(H,20,21)
InChIKeyUYHLWGSRTWHBOE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.20
Rot. Bonds6

About 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine

2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 19821966) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID19821966
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESC#CCOc1ccc(-c2nc3ccncc3[nH]2)cc1OCC=C
InChIInChI=1S/C18H15N3O2/c1-3-9-22-16-6-5-13(11-17(16)23-10-4-2)18-20-14-7-8-19-12-15(14)21-18/h1,4-8,11-12H,2,9-10H2,(H,20,21)
InChIKeyUYHLWGSRTWHBOE-UHFFFAOYSA-N
XLogP3.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 19821966) is 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine is C#CCOc1ccc(-c2nc3ccncc3[nH]2)cc1OCC=C.
What is the InChIKey of 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is UYHLWGSRTWHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-9-22-16-6-5-13(11-17(16)23-10-4-2)18-20-14-7-8-19-12-15(14)21-18/h1,4-8,11-12H,2,9-10H2,(H,20,21).
What are the key properties of 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 305.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 19821966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).