3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile

C17H14N4 — CID 70629696

IUPAC3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile
SMILESN#CC(Cc1ncc[nH]1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H14N4/c18-13-17(12-16-20-10-11-21-16,14-4-2-1-3-5-14)15-6-8-19-9-7-15/h1-11H,12H2,(H,20,21)
InChIKeyHZYVSUXFIHXLHP-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.86
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile

3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile (PubChem CID 70629696) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile
PubChem CID70629696
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile
SMILESN#CC(Cc1ncc[nH]1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H14N4/c18-13-17(12-16-20-10-11-21-16,14-4-2-1-3-5-14)15-6-8-19-9-7-15/h1-11H,12H2,(H,20,21)
InChIKeyHZYVSUXFIHXLHP-UHFFFAOYSA-N
XLogP2.86
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile?
The IUPAC name of 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile (CID 70629696) is 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile?
The canonical SMILES for 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile is N#CC(Cc1ncc[nH]1)(c1ccccc1)c1ccncc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile?
The InChIKey is HZYVSUXFIHXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-13-17(12-16-20-10-11-21-16,14-4-2-1-3-5-14)15-6-8-19-9-7-15/h1-11H,12H2,(H,20,21).
What are the key properties of 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile?
3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile has a molecular weight of 274.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-2-phenyl-2-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 70629696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).