3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

C22H15F2N3 — CID 10133076

IUPAC3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H15F2N3/c23-19-8-4-17(5-9-19)22(18-6-10-20(24)11-7-18)14-26-21(27-22)16-3-1-2-15(12-16)13-25/h1-12H,14H2,(H,26,27)
InChIKeyBBDAERKIAOKZLY-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.13
Rot. Bonds3

About 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (PubChem CID 10133076) has the molecular formula C22H15F2N3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
PubChem CID10133076
Molecular FormulaC22H15F2N3
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H15F2N3/c23-19-8-4-17(5-9-19)22(18-6-10-20(24)11-7-18)14-26-21(27-22)16-3-1-2-15(12-16)13-25/h1-12H,14H2,(H,26,27)
InChIKeyBBDAERKIAOKZLY-UHFFFAOYSA-N
XLogP4.13
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4-Triphenylimidazoline
CID 22054806
2,4,5-Triphenyl-2-imidazoline
CID 101777
2-(3-fluorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9924627
2-(3-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9947469
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
2-(3-bromophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10273149
4,4-bis(4-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-imidazole
CID 10294504
(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652
(4R,5S)-2-[(2,3-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11462177
(4R,5S)-2-[2-(3-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388772
(4R,5S)-2-[2-(4-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388773

Frequently Asked Questions

What is the IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (CID 10133076) is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is N#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1.
What is the InChIKey of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The InChIKey is BBDAERKIAOKZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3/c23-19-8-4-17(5-9-19)22(18-6-10-20(24)11-7-18)14-26-21(27-22)16-3-1-2-15(12-16)13-25/h1-12H,14H2,(H,26,27).
What are the key properties of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile has a molecular weight of 359.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is sourced from PubChem (CID 10133076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).