2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile

C18H15N3 — CID 64536556

IUPAC2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile
SMILESN#CC(Cn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3/c19-13-17(15-7-3-1-4-8-15)14-21-12-11-20-18(21)16-9-5-2-6-10-16/h1-12,17H,14H2
InChIKeyLKELNRKUWTYDTR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.86
Rot. Bonds4

About 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile

2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile (PubChem CID 64536556) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile
PubChem CID64536556
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile
SMILESN#CC(Cn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3/c19-13-17(15-7-3-1-4-8-15)14-21-12-11-20-18(21)16-9-5-2-6-10-16/h1-12,17H,14H2
InChIKeyLKELNRKUWTYDTR-UHFFFAOYSA-N
XLogP3.86
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The IUPAC name of 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile (CID 64536556) is 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The canonical SMILES for 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile is N#CC(Cn1ccnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The InChIKey is LKELNRKUWTYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-13-17(15-7-3-1-4-8-15)14-21-12-11-20-18(21)16-9-5-2-6-10-16/h1-12,17H,14H2.
What are the key properties of 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile?
2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile has a molecular weight of 273.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile is sourced from PubChem (CID 64536556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).