1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole

C16H22N2OSi — CID 59583774

IUPAC1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole
SMILESCc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1
InChIInChI=1S/C16H22N2OSi/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyUROPSIPJEIEZOK-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.25
Rot. Bonds2

About 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole

1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole (PubChem CID 59583774) has the molecular formula C16H22N2OSi and a molecular weight of 286.45 g/mol. Its IUPAC name is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole
PubChem CID59583774
Molecular FormulaC16H22N2OSi
Molecular Weight286.45 g/mol
Exact Mass286.15
IUPAC Name1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole
SMILESCc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1
InChIInChI=1S/C16H22N2OSi/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyUROPSIPJEIEZOK-UHFFFAOYSA-N
XLogP3.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole?
The IUPAC name of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole (CID 59583774) is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole.
What is the SMILES notation for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole?
The canonical SMILES for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole is Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.
What is the InChIKey of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole?
The InChIKey is UROPSIPJEIEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole?
1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole has a molecular weight of 286.45 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole is sourced from PubChem (CID 59583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).