3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

C28H21N3 — CID 10222571

IUPAC3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccccc3)(c3ccc(-c4ccccc4)cc3)N2)c1
InChIInChI=1S/C28H21N3/c29-19-21-8-7-11-24(18-21)27-30-20-28(31-27,25-12-5-2-6-13-25)26-16-14-23(15-17-26)22-9-3-1-4-10-22/h1-18H,20H2,(H,30,31)
InChIKeyWBFFMNLFUDZOLH-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.52
Rot. Bonds4

About 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (PubChem CID 10222571) has the molecular formula C28H21N3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
PubChem CID10222571
Molecular FormulaC28H21N3
Molecular Weight399.50 g/mol
Exact Mass399.17
IUPAC Name3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccccc3)(c3ccc(-c4ccccc4)cc3)N2)c1
InChIInChI=1S/C28H21N3/c29-19-21-8-7-11-24(18-21)27-30-20-28(31-27,25-12-5-2-6-13-25)26-16-14-23(15-17-26)22-9-3-1-4-10-22/h1-18H,20H2,(H,30,31)
InChIKeyWBFFMNLFUDZOLH-UHFFFAOYSA-N
XLogP5.52
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10292354
3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10199565
3-[5-(1-methyl-2-methylidene-6-oxo-4-phenyl-1,3-diazinan-4-yl)thiophen-3-yl]benzonitrile
CID 145460955
3-[4-[2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-adamantyl]phenyl]benzonitrile
CID 164818624
3-[4-[3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
CID 164818569
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
3-[3-[9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146538977
3-[4-[4-[3-(9,9-diphenylxanthen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031249
3-[4-(4-amino-1-methylpiperidin-4-yl)phenyl]benzonitrile
CID 142248145

Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (CID 10222571) is 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is N#Cc1cccc(C2=NCC(c3ccccc3)(c3ccc(-c4ccccc4)cc3)N2)c1.
What is the InChIKey of 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The InChIKey is WBFFMNLFUDZOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3/c29-19-21-8-7-11-24(18-21)27-30-20-28(31-27,25-12-5-2-6-13-25)26-16-14-23(15-17-26)22-9-3-1-4-10-22/h1-18H,20H2,(H,30,31).
What are the key properties of 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile has a molecular weight of 399.50 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is sourced from PubChem (CID 10222571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).