2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine

C23H28N4 — CID 95839027

IUPAC2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@H]2CCCN2CCCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-2-22-24-15-18-27(22)23-14-6-12-20(25-23)21-13-8-17-26(21)16-7-11-19-9-4-3-5-10-19/h3-6,9-10,12,14-15,18,21H,2,7-8,11,13,16-17H2,1H3/t21-/m1/s1
InChIKeyUTWNBOXFMCFVIA-OAQYLSRUSA-N
MW360.51 g/mol
LogP4.60
Rot. Bonds7

About 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine

2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine (PubChem CID 95839027) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
PubChem CID95839027
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@H]2CCCN2CCCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-2-22-24-15-18-27(22)23-14-6-12-20(25-23)21-13-8-17-26(21)16-7-11-19-9-4-3-5-10-19/h3-6,9-10,12,14-15,18,21H,2,7-8,11,13,16-17H2,1H3/t21-/m1/s1
InChIKeyUTWNBOXFMCFVIA-OAQYLSRUSA-N
XLogP4.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine (CID 95839027) is 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine is CCc1nccn1-c1cccc([C@H]2CCCN2CCCc2ccccc2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine?
The InChIKey is UTWNBOXFMCFVIA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4/c1-2-22-24-15-18-27(22)23-14-6-12-20(25-23)21-13-8-17-26(21)16-7-11-19-9-4-3-5-10-19/h3-6,9-10,12,14-15,18,21H,2,7-8,11,13,16-17H2,1H3/t21-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine?
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine has a molecular weight of 360.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95839027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).