2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine

C23H28N4 — CID 95839046

IUPAC2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1nccn1-c1cccc([C@H]2CCCN2CCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)23-24-14-17-27(23)22-12-6-10-20(25-22)21-11-7-15-26(21)16-13-19-8-4-3-5-9-19/h3-6,8-10,12,14,17-18,21H,7,11,13,15-16H2,1-2H3/t21-/m1/s1
InChIKeyNPYUVONJKATYQF-OAQYLSRUSA-N
MW360.51 g/mol
LogP4.77
Rot. Bonds6

About 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine

2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine (PubChem CID 95839046) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
PubChem CID95839046
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1nccn1-c1cccc([C@H]2CCCN2CCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)23-24-14-17-27(23)22-12-6-10-20(25-22)21-11-7-15-26(21)16-13-19-8-4-3-5-9-19/h3-6,8-10,12,14,17-18,21H,7,11,13,15-16H2,1-2H3/t21-/m1/s1
InChIKeyNPYUVONJKATYQF-OAQYLSRUSA-N
XLogP4.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 95819483
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95826935
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
CID 95839027
2-(1-cyclopentylpyrrolidin-2-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268045
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 95838472
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 110267789
2-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 95815943
[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95839096
2-(2-methylimidazol-1-yl)-6-[1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 110266022

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The IUPAC name of 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine (CID 95839046) is 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The canonical SMILES for 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine is CC(C)c1nccn1-c1cccc([C@H]2CCCN2CCc2ccccc2)n1.
What is the InChIKey of 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The InChIKey is NPYUVONJKATYQF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4/c1-18(2)23-24-14-17-27(23)22-12-6-10-20(25-22)21-11-7-15-26(21)16-13-19-8-4-3-5-9-19/h3-6,8-10,12,14,17-18,21H,7,11,13,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine has a molecular weight of 360.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine is sourced from PubChem (CID 95839046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).