4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile

C23H18N4 — CID 118978757

IUPAC4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCc2cccnc2)c1
InChIInChI=1S/C23H18N4/c24-15-19-4-10-23(21(14-19)5-3-18-2-1-11-25-16-18)20-6-8-22(9-7-20)27-13-12-26-17-27/h1-2,4,6-14,16-17H,3,5H2
InChIKeyVEUUBWMLQFYEAE-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.59
Rot. Bonds5

About 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile

4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile (PubChem CID 118978757) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
PubChem CID118978757
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCc2cccnc2)c1
InChIInChI=1S/C23H18N4/c24-15-19-4-10-23(21(14-19)5-3-18-2-1-11-25-16-18)20-6-8-22(9-7-20)27-13-12-26-17-27/h1-2,4,6-14,16-17H,3,5H2
InChIKeyVEUUBWMLQFYEAE-UHFFFAOYSA-N
XLogP4.59
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile (CID 118978757) is 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile is N#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCc2cccnc2)c1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile?
The InChIKey is VEUUBWMLQFYEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c24-15-19-4-10-23(21(14-19)5-3-18-2-1-11-25-16-18)20-6-8-22(9-7-20)27-13-12-26-17-27/h1-2,4,6-14,16-17H,3,5H2.
What are the key properties of 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile?
4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile has a molecular weight of 350.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile is sourced from PubChem (CID 118978757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).