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

C24H22N4 — CID 10292354

IUPAC3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESCN(C)c1ccc(C2(c3ccccc3)CN=C(c3cccc(C#N)c3)N2)cc1
InChIInChI=1S/C24H22N4/c1-28(2)22-13-11-21(12-14-22)24(20-9-4-3-5-10-20)17-26-23(27-24)19-8-6-7-18(15-19)16-25/h3-15H,17H2,1-2H3,(H,26,27)
InChIKeyUNSQDCSKKNEQQR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.92
Rot. Bonds4

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

3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile (PubChem CID 10292354) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
PubChem CID10292354
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESCN(C)c1ccc(C2(c3ccccc3)CN=C(c3cccc(C#N)c3)N2)cc1
InChIInChI=1S/C24H22N4/c1-28(2)22-13-11-21(12-14-22)24(20-9-4-3-5-10-20)17-26-23(27-24)19-8-6-7-18(15-19)16-25/h3-15H,17H2,1-2H3,(H,26,27)
InChIKeyUNSQDCSKKNEQQR-UHFFFAOYSA-N
XLogP3.92
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile (CID 10292354) is 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile is CN(C)c1ccc(C2(c3ccccc3)CN=C(c3cccc(C#N)c3)N2)cc1.
What is the InChIKey of 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile?
The InChIKey is UNSQDCSKKNEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-28(2)22-13-11-21(12-14-22)24(20-9-4-3-5-10-20)17-26-23(27-24)19-8-6-7-18(15-19)16-25/h3-15H,17H2,1-2H3,(H,26,27).
What are the key properties of 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile?
3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile has a molecular weight of 366.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile is sourced from PubChem (CID 10292354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).