3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine

C15H15N3O — CID 82245169

IUPAC3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C15H15N3O/c1-2-12(10-16-7-1)11-19-14-5-3-13(4-6-14)15-17-8-9-18-15/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyUGLIYXUOWBVPBE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.01
Rot. Bonds4

About 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine

3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine (PubChem CID 82245169) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
PubChem CID82245169
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C15H15N3O/c1-2-12(10-16-7-1)11-19-14-5-3-13(4-6-14)15-17-8-9-18-15/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyUGLIYXUOWBVPBE-UHFFFAOYSA-N
XLogP2.01
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine (CID 82245169) is 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine is c1cncc(COc2ccc(C3=NCCN3)cc2)c1.
What is the InChIKey of 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine?
The InChIKey is UGLIYXUOWBVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-12(10-16-7-1)11-19-14-5-3-13(4-6-14)15-17-8-9-18-15/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine?
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine has a molecular weight of 253.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 82245169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).