4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile

C26H23N3 — CID 22254300

IUPAC4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESCCc1ccccc1-c1ccc(Cn2cncc2Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H23N3/c1-2-23-5-3-4-6-26(23)24-13-11-22(12-14-24)18-29-19-28-17-25(29)15-20-7-9-21(16-27)10-8-20/h3-14,17,19H,2,15,18H2,1H3
InChIKeyXAXOUOLVASQFPT-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.62
Rot. Bonds6

About 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile

4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 22254300) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID22254300
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESCCc1ccccc1-c1ccc(Cn2cncc2Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H23N3/c1-2-23-5-3-4-6-26(23)24-13-11-22(12-14-24)18-29-19-28-17-25(29)15-20-7-9-21(16-27)10-8-20/h3-14,17,19H,2,15,18H2,1H3
InChIKeyXAXOUOLVASQFPT-UHFFFAOYSA-N
XLogP5.62
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (CID 22254300) is 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is CCc1ccccc1-c1ccc(Cn2cncc2Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is XAXOUOLVASQFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-2-23-5-3-4-6-26(23)24-13-11-22(12-14-24)18-29-19-28-17-25(29)15-20-7-9-21(16-27)10-8-20/h3-14,17,19H,2,15,18H2,1H3.
What are the key properties of 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 377.49 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 22254300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).