4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile

C23H24N4OSi — CID 46895438

IUPAC4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(C#N)cc2)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N4OSi/c1-29(2,3)13-12-28-17-27-22(20-8-4-18(14-24)5-9-20)16-26-23(27)21-10-6-19(15-25)7-11-21/h4-11,16H,12-13,17H2,1-3H3
InChIKeyLQHYBTLZVQKBFV-UHFFFAOYSA-N
MW400.56 g/mol
LogP5.27
Rot. Bonds7

About 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile

4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile (PubChem CID 46895438) has the molecular formula C23H24N4OSi and a molecular weight of 400.56 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
PubChem CID46895438
Molecular FormulaC23H24N4OSi
Molecular Weight400.56 g/mol
Exact Mass400.17
IUPAC Name4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(C#N)cc2)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N4OSi/c1-29(2,3)13-12-28-17-27-22(20-8-4-18(14-24)5-9-20)16-26-23(27)21-10-6-19(15-25)7-11-21/h4-11,16H,12-13,17H2,1-3H3
InChIKeyLQHYBTLZVQKBFV-UHFFFAOYSA-N
XLogP5.27
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
4-[3-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopropyl]benzonitrile
CID 58506045
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 67362055

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile (CID 46895438) is 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile is C[Si](C)(C)CCOCn1c(-c2ccc(C#N)cc2)cnc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile?
The InChIKey is LQHYBTLZVQKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OSi/c1-29(2,3)13-12-28-17-27-22(20-8-4-18(14-24)5-9-20)16-26-23(27)21-10-6-19(15-25)7-11-21/h4-11,16H,12-13,17H2,1-3H3.
What are the key properties of 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile?
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile has a molecular weight of 400.56 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile is sourced from PubChem (CID 46895438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).