4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile

C18H15N3 — CID 118978698

IUPAC4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3/c1-2-15-11-17(21-10-9-20-13-21)7-8-18(15)16-5-3-14(12-19)4-6-16/h3-11,13H,2H2,1H3
InChIKeyQHABSKVGDOSMCR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.97
Rot. Bonds3

About 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile

4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile (PubChem CID 118978698) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
PubChem CID118978698
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3/c1-2-15-11-17(21-10-9-20-13-21)7-8-18(15)16-5-3-14(12-19)4-6-16/h3-11,13H,2H2,1H3
InChIKeyQHABSKVGDOSMCR-UHFFFAOYSA-N
XLogP3.97
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile?
The IUPAC name of 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile (CID 118978698) is 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile?
The canonical SMILES for 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile is CCc1cc(-n2ccnc2)ccc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile?
The InChIKey is QHABSKVGDOSMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-15-11-17(21-10-9-20-13-21)7-8-18(15)16-5-3-14(12-19)4-6-16/h3-11,13H,2H2,1H3.
What are the key properties of 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile?
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile is sourced from PubChem (CID 118978698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).