3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile

C20H19N3 — CID 59963160

IUPAC3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile
SMILESCc1cc(-c2cnc(-c3cccc(C#N)c3)[nH]2)c(C)c(C)c1C
InChIInChI=1S/C20H19N3/c1-12-8-18(15(4)14(3)13(12)2)19-11-22-20(23-19)17-7-5-6-16(9-17)10-21/h5-9,11H,1-4H3,(H,22,23)
InChIKeyZCZITCMTTGANPK-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.85
Rot. Bonds2

About 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile

3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile (PubChem CID 59963160) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile
PubChem CID59963160
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile
SMILESCc1cc(-c2cnc(-c3cccc(C#N)c3)[nH]2)c(C)c(C)c1C
InChIInChI=1S/C20H19N3/c1-12-8-18(15(4)14(3)13(12)2)19-11-22-20(23-19)17-7-5-6-16(9-17)10-21/h5-9,11H,1-4H3,(H,22,23)
InChIKeyZCZITCMTTGANPK-UHFFFAOYSA-N
XLogP4.85
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile (CID 59963160) is 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile is Cc1cc(-c2cnc(-c3cccc(C#N)c3)[nH]2)c(C)c(C)c1C.
What is the InChIKey of 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile?
The InChIKey is ZCZITCMTTGANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-12-8-18(15(4)14(3)13(12)2)19-11-22-20(23-19)17-7-5-6-16(9-17)10-21/h5-9,11H,1-4H3,(H,22,23).
What are the key properties of 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile?
3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile has a molecular weight of 301.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3,4,5-tetramethylphenyl)-1H-imidazol-2-yl]benzonitrile is sourced from PubChem (CID 59963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).