3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile

C18H24N4OSi — CID 175852802

IUPAC3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile
SMILESC[Si](C)(C)CCOCn1cc(Cc2ccncc2)nc1C=CC#N
InChIInChI=1S/C18H24N4OSi/c1-24(2,3)12-11-23-15-22-14-17(21-18(22)5-4-8-19)13-16-6-9-20-10-7-16/h4-7,9-10,14H,11-13,15H2,1-3H3
InChIKeyCXKGYGDYVRTAAJ-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.72
Rot. Bonds8

About 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile

3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile (PubChem CID 175852802) has the molecular formula C18H24N4OSi and a molecular weight of 340.50 g/mol. Its IUPAC name is 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile
PubChem CID175852802
Molecular FormulaC18H24N4OSi
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile
SMILESC[Si](C)(C)CCOCn1cc(Cc2ccncc2)nc1C=CC#N
InChIInChI=1S/C18H24N4OSi/c1-24(2,3)12-11-23-15-22-14-17(21-18(22)5-4-8-19)13-16-6-9-20-10-7-16/h4-7,9-10,14H,11-13,15H2,1-3H3
InChIKeyCXKGYGDYVRTAAJ-UHFFFAOYSA-N
XLogP3.72
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
CID 71001888
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87327620
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
N-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 155615799
3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile
CID 86729366
(E)-3-[(1S,3R,4S)-3-methyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]prop-2-enenitrile
CID 89439353
[2-(1,2-oxazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanol
CID 86718427
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile?
The IUPAC name of 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile (CID 175852802) is 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile.
What is the SMILES notation for 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile?
The canonical SMILES for 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile is C[Si](C)(C)CCOCn1cc(Cc2ccncc2)nc1C=CC#N.
What is the InChIKey of 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile?
The InChIKey is CXKGYGDYVRTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OSi/c1-24(2,3)12-11-23-15-22-14-17(21-18(22)5-4-8-19)13-16-6-9-20-10-7-16/h4-7,9-10,14H,11-13,15H2,1-3H3.
What are the key properties of 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile?
3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile has a molecular weight of 340.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-4-ylmethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 175852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).