3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol

C22H42N4O3Si2 — CID 68954118

IUPAC3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
SMILESC[Si](C)(C)CCOCn1ccnc1CC(CO)Cc1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C22H42N4O3Si2/c1-30(2,3)13-11-28-18-25-9-7-23-21(25)15-20(17-27)16-22-24-8-10-26(22)19-29-12-14-31(4,5)6/h7-10,20,27H,11-19H2,1-6H3
InChIKeyLFAGJBDWWZUAQY-UHFFFAOYSA-N
MW466.78 g/mol
LogP4.10
Rot. Bonds15

About 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol

3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol (PubChem CID 68954118) has the molecular formula C22H42N4O3Si2 and a molecular weight of 466.78 g/mol. Its IUPAC name is 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
PubChem CID68954118
Molecular FormulaC22H42N4O3Si2
Molecular Weight466.78 g/mol
Exact Mass466.28
IUPAC Name3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
SMILESC[Si](C)(C)CCOCn1ccnc1CC(CO)Cc1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C22H42N4O3Si2/c1-30(2,3)13-11-28-18-25-9-7-23-21(25)15-20(17-27)16-22-24-8-10-26(22)19-29-12-14-31(4,5)6/h7-10,20,27H,11-19H2,1-6H3
InChIKeyLFAGJBDWWZUAQY-UHFFFAOYSA-N
XLogP4.10
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(hydroxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propanenitrile
CID 68956045
N-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 155615799
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
CID 68952431
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
2-[[2-[bis(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11991092
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 164860021
N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 67163688
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The IUPAC name of 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol (CID 68954118) is 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The canonical SMILES for 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol is C[Si](C)(C)CCOCn1ccnc1CC(CO)Cc1nccn1COCC[Si](C)(C)C.
What is the InChIKey of 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The InChIKey is LFAGJBDWWZUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O3Si2/c1-30(2,3)13-11-28-18-25-9-7-23-21(25)15-20(17-27)16-22-24-8-10-26(22)19-29-12-14-31(4,5)6/h7-10,20,27H,11-19H2,1-6H3.
What are the key properties of 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol has a molecular weight of 466.78 g/mol, XLogP of 4.10, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol is sourced from PubChem (CID 68954118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).