2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol

C11H18N2OSi — CID 141345617

IUPAC2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
SMILESCc1cnc(C(C)(O)C#C[Si](C)(C)C)[nH]1
InChIInChI=1S/C11H18N2OSi/c1-9-8-12-10(13-9)11(2,14)6-7-15(3,4)5/h8,14H,1-5H3,(H,12,13)
InChIKeyQCUPGPQLPLXNEZ-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.81
Rot. Bonds1

About 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol

2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 141345617) has the molecular formula C11H18N2OSi and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
PubChem CID141345617
Molecular FormulaC11H18N2OSi
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
SMILESCc1cnc(C(C)(O)C#C[Si](C)(C)C)[nH]1
InChIInChI=1S/C11H18N2OSi/c1-9-8-12-10(13-9)11(2,14)6-7-15(3,4)5/h8,14H,1-5H3,(H,12,13)
InChIKeyQCUPGPQLPLXNEZ-UHFFFAOYSA-N
XLogP1.81
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol (CID 141345617) is 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol is Cc1cnc(C(C)(O)C#C[Si](C)(C)C)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is QCUPGPQLPLXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OSi/c1-9-8-12-10(13-9)11(2,14)6-7-15(3,4)5/h8,14H,1-5H3,(H,12,13).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol?
2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 222.36 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 141345617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).