ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate

C26H32N2O3Si — CID 54334591

IUPACethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C26H32N2O3Si/c1-5-31-24(29)17-16-23-27-25(21-12-8-6-9-13-21)26(22-14-10-7-11-15-22)28(23)20-30-18-19-32(2,3)4/h6-17H,5,18-20H2,1-4H3
InChIKeyTUOBMYCVSOUSRC-UHFFFAOYSA-N
MW448.64 g/mol
LogP6.11
Rot. Bonds10

About ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate

ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate (PubChem CID 54334591) has the molecular formula C26H32N2O3Si and a molecular weight of 448.64 g/mol. Its IUPAC name is ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
PubChem CID54334591
Molecular FormulaC26H32N2O3Si
Molecular Weight448.64 g/mol
Exact Mass448.22
IUPAC Nameethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C26H32N2O3Si/c1-5-31-24(29)17-16-23-27-25(21-12-8-6-9-13-21)26(22-14-10-7-11-15-22)28(23)20-30-18-19-32(2,3)4/h6-17H,5,18-20H2,1-4H3
InChIKeyTUOBMYCVSOUSRC-UHFFFAOYSA-N
XLogP6.11
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 56.11
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
ethyl 3-[4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-5-phenyl-1-(1-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
CID 69213024
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile
CID 123833812
ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 166074597
ethyl 2-[2-(1,3-benzodioxol-5-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 3271634
ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate
CID 172515091
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
ethyl (Z)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 153326017
trans-methyl (1S,2S)-2-[5-(4-methoxyphenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]cyclopropane-1-carboxylate
CID 59641866
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
3-[2,5-dimethyl-4-naphthalen-1-yl-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]prop-2-enoic acid
CID 66859349

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate (CID 54334591) is ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate is CCOC(=O)C=Cc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate?
The InChIKey is TUOBMYCVSOUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3Si/c1-5-31-24(29)17-16-23-27-25(21-12-8-6-9-13-21)26(22-14-10-7-11-15-22)28(23)20-30-18-19-32(2,3)4/h6-17H,5,18-20H2,1-4H3.
What are the key properties of ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate?
ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate has a molecular weight of 448.64 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate is sourced from PubChem (CID 54334591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).