4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile

C20H16FN3 — CID 67577047

IUPAC4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2cnc(C=CCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H16FN3/c21-18-9-5-16(6-10-18)3-1-2-4-19-14-24(15-23-19)20-11-7-17(13-22)8-12-20/h2,4-12,14-15H,1,3H2
InChIKeyKPBBOVKCYYJOJM-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.53
Rot. Bonds5

About 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile

4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile (PubChem CID 67577047) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile
PubChem CID67577047
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2cnc(C=CCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H16FN3/c21-18-9-5-16(6-10-18)3-1-2-4-19-14-24(15-23-19)20-11-7-17(13-22)8-12-20/h2,4-12,14-15H,1,3H2
InChIKeyKPBBOVKCYYJOJM-UHFFFAOYSA-N
XLogP4.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile?
The IUPAC name of 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile (CID 67577047) is 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile is N#Cc1ccc(-n2cnc(C=CCCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile?
The InChIKey is KPBBOVKCYYJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-18-9-5-16(6-10-18)3-1-2-4-19-14-24(15-23-19)20-11-7-17(13-22)8-12-20/h2,4-12,14-15H,1,3H2.
What are the key properties of 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile?
4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile has a molecular weight of 317.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile is sourced from PubChem (CID 67577047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).