2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile

C17H12N4 — CID 123145775

IUPAC2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1C=CN(c2ccccc2C#N)C1
InChIInChI=1S/C17H12N4/c18-11-14-5-1-3-7-16(14)20-9-10-21(13-20)17-8-4-2-6-15(17)12-19/h1-10H,13H2
InChIKeyRZEIOKGHCPGGLR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.19
Rot. Bonds2

About 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile

2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile (PubChem CID 123145775) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile
PubChem CID123145775
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1C=CN(c2ccccc2C#N)C1
InChIInChI=1S/C17H12N4/c18-11-14-5-1-3-7-16(14)20-9-10-21(13-20)17-8-4-2-6-15(17)12-19/h1-10H,13H2
InChIKeyRZEIOKGHCPGGLR-UHFFFAOYSA-N
XLogP3.19
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile?
The IUPAC name of 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile (CID 123145775) is 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile?
The canonical SMILES for 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile is N#Cc1ccccc1N1C=CN(c2ccccc2C#N)C1.
What is the InChIKey of 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile?
The InChIKey is RZEIOKGHCPGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-11-14-5-1-3-7-16(14)20-9-10-21(13-20)17-8-4-2-6-15(17)12-19/h1-10H,13H2.
What are the key properties of 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile?
2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile is sourced from PubChem (CID 123145775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).