2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine

C23H26N6 — CID 50953513

IUPAC2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)c1nccn1C(C)c1nc(CCc2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C23H26N6/c1-17(2)22-25-15-16-28(22)18(3)23-26-20(13-12-19-9-5-4-6-10-19)27-29(23)21-11-7-8-14-24-21/h4-11,14-18H,12-13H2,1-3H3
InChIKeyBCKGAZZNDWGYPR-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.38
Rot. Bonds7

About 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine

2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 50953513) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID50953513
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)c1nccn1C(C)c1nc(CCc2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C23H26N6/c1-17(2)22-25-15-16-28(22)18(3)23-26-20(13-12-19-9-5-4-6-10-19)27-29(23)21-11-7-8-14-24-21/h4-11,14-18H,12-13H2,1-3H3
InChIKeyBCKGAZZNDWGYPR-UHFFFAOYSA-N
XLogP4.38
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(methylsulfonylmethyl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
CID 50985323
2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 75591117
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 97204799
3-(2-phenylethyl)-5-[(1S)-1-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 97438511
3-(2-phenylethyl)-5-[1-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72879276
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 95119456
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine (CID 50953513) is 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine is CC(C)c1nccn1C(C)c1nc(CCc2ccccc2)nn1-c1ccccn1.
What is the InChIKey of 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is BCKGAZZNDWGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-17(2)22-25-15-16-28(22)18(3)23-26-20(13-12-19-9-5-4-6-10-19)27-29(23)21-11-7-8-14-24-21/h4-11,14-18H,12-13H2,1-3H3.
What are the key properties of 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 386.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50953513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).