3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine

C18H19N3O — CID 134140327

IUPAC3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-15(7-3-1)18(16-8-4-10-19-12-16)22-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,18H,5,9,11H2,(H,20,21)
InChIKeyVZIASWVVSCBXGV-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.54
Rot. Bonds7

About 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine

3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine (PubChem CID 134140327) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine.

Molecular Properties

Compound Name3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine
PubChem CID134140327
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-15(7-3-1)18(16-8-4-10-19-12-16)22-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,18H,5,9,11H2,(H,20,21)
InChIKeyVZIASWVVSCBXGV-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine?
The IUPAC name of 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine (CID 134140327) is 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine.
What is the SMILES notation for 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine?
The canonical SMILES for 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine is c1ccc(C(OCCCc2cnc[nH]2)c2cccnc2)cc1.
What is the InChIKey of 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine?
The InChIKey is VZIASWVVSCBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-15(7-3-1)18(16-8-4-10-19-12-16)22-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,18H,5,9,11H2,(H,20,21).
What are the key properties of 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine?
3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine is sourced from PubChem (CID 134140327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).