2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile

C22H23N3 — CID 100942189

IUPAC2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile
SMILESCCCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3/c1-2-9-21-24-15-17-25(21)16-14-22(18-23,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,15,17H,2,9,14,16H2,1H3
InChIKeyQSUMMLMVHZGPJK-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.74
Rot. Bonds7

About 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile

2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile (PubChem CID 100942189) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile
PubChem CID100942189
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile
SMILESCCCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3/c1-2-9-21-24-15-17-25(21)16-14-22(18-23,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,15,17H,2,9,14,16H2,1H3
InChIKeyQSUMMLMVHZGPJK-UHFFFAOYSA-N
XLogP4.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
CID 100942188
1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
CID 75433232
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
2,2-diphenyloctadecanenitrile
CID 154150395
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile?
The IUPAC name of 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile (CID 100942189) is 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile.
What is the SMILES notation for 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile?
The canonical SMILES for 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile is CCCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile?
The InChIKey is QSUMMLMVHZGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-2-9-21-24-15-17-25(21)16-14-22(18-23,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,15,17H,2,9,14,16H2,1H3.
What are the key properties of 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile?
2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile has a molecular weight of 329.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile is sourced from PubChem (CID 100942189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).