3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine

C23H21N3 — CID 90366874

IUPAC3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine
SMILESC=CCn1c(-c2cccnc2)cnc1CCc1cccc2ccccc12
InChIInChI=1S/C23H21N3/c1-2-15-26-22(20-10-6-14-24-16-20)17-25-23(26)13-12-19-9-5-8-18-7-3-4-11-21(18)19/h2-11,14,16-17H,1,12-13,15H2
InChIKeyFZFMDZRZGRKECN-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.07
Rot. Bonds6

About 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine

3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine (PubChem CID 90366874) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine
PubChem CID90366874
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine
SMILESC=CCn1c(-c2cccnc2)cnc1CCc1cccc2ccccc12
InChIInChI=1S/C23H21N3/c1-2-15-26-22(20-10-6-14-24-16-20)17-25-23(26)13-12-19-9-5-8-18-7-3-4-11-21(18)19/h2-11,14,16-17H,1,12-13,15H2
InChIKeyFZFMDZRZGRKECN-UHFFFAOYSA-N
XLogP5.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine?
The IUPAC name of 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine (CID 90366874) is 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine.
What is the SMILES notation for 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine?
The canonical SMILES for 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine is C=CCn1c(-c2cccnc2)cnc1CCc1cccc2ccccc12.
What is the InChIKey of 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine?
The InChIKey is FZFMDZRZGRKECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-2-15-26-22(20-10-6-14-24-16-20)17-25-23(26)13-12-19-9-5-8-18-7-3-4-11-21(18)19/h2-11,14,16-17H,1,12-13,15H2.
What are the key properties of 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine?
3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine has a molecular weight of 339.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-naphthalen-1-ylethyl)-3-prop-2-enylimidazol-4-yl]pyridine is sourced from PubChem (CID 90366874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).