1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol

C12H24N2OSi — CID 174581390

IUPAC1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol
SMILESCC(C)(C)c1ncc(C(C)(O)[Si](C)(C)C)[nH]1
InChIInChI=1S/C12H24N2OSi/c1-11(2,3)10-13-8-9(14-10)12(4,15)16(5,6)7/h8,15H,1-7H3,(H,13,14)
InChIKeyKQSUGUKAMSYWHL-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.79
Rot. Bonds2

About 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol

1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol (PubChem CID 174581390) has the molecular formula C12H24N2OSi and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol
PubChem CID174581390
Molecular FormulaC12H24N2OSi
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol
SMILESCC(C)(C)c1ncc(C(C)(O)[Si](C)(C)C)[nH]1
InChIInChI=1S/C12H24N2OSi/c1-11(2,3)10-13-8-9(14-10)12(4,15)16(5,6)7/h8,15H,1-7H3,(H,13,14)
InChIKeyKQSUGUKAMSYWHL-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(trifluoromethyl)-1H-imidazole
CID 90337864
2-tert-butyl-5-methoxy-1H-imidazole
CID 90295805
5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
CID 150315714
(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol
CID 154965158
2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 140580734
2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
CID 141345617
tert-butyl (E)-3-(2-tert-butyl-1H-imidazol-5-yl)prop-2-enoate
CID 67456203
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole
CID 67456289
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
CID 59836529
2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878954
2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 121475961

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol?
The IUPAC name of 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol (CID 174581390) is 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol.
What is the SMILES notation for 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol?
The canonical SMILES for 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol is CC(C)(C)c1ncc(C(C)(O)[Si](C)(C)C)[nH]1.
What is the InChIKey of 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol?
The InChIKey is KQSUGUKAMSYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OSi/c1-11(2,3)10-13-8-9(14-10)12(4,15)16(5,6)7/h8,15H,1-7H3,(H,13,14).
What are the key properties of 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol?
1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol has a molecular weight of 240.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol is sourced from PubChem (CID 174581390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).