3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile

C19H17N3 — CID 174997798

IUPAC3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile
SMILESN#CCCn1cc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3/c20-12-7-13-22-15-18(14-16-8-3-1-4-9-16)21-19(22)17-10-5-2-6-11-17/h1-6,8-11,15H,7,13-14H2
InChIKeyJSSSRJDTXLCZON-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.05
Rot. Bonds5

About 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile

3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile (PubChem CID 174997798) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile
PubChem CID174997798
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile
SMILESN#CCCn1cc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3/c20-12-7-13-22-15-18(14-16-8-3-1-4-9-16)21-19(22)17-10-5-2-6-11-17/h1-6,8-11,15H,7,13-14H2
InChIKeyJSSSRJDTXLCZON-UHFFFAOYSA-N
XLogP4.05
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile?
The IUPAC name of 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile (CID 174997798) is 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile?
The canonical SMILES for 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile is N#CCCn1cc(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile?
The InChIKey is JSSSRJDTXLCZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c20-12-7-13-22-15-18(14-16-8-3-1-4-9-16)21-19(22)17-10-5-2-6-11-17/h1-6,8-11,15H,7,13-14H2.
What are the key properties of 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile?
3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile has a molecular weight of 287.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-2-phenylimidazol-1-yl)propanenitrile is sourced from PubChem (CID 174997798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).