1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one

C14H22N2O2Si — CID 175832814

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(O[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(5,6)18-16-12-10-8-7-9-11(12)15(4)13(16)17/h7-10H,1-6H3
InChIKeyIXEKOQJUMTZAGF-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.77
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one

1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one (PubChem CID 175832814) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one
PubChem CID175832814
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(O[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(5,6)18-16-12-10-8-7-9-11(12)15(4)13(16)17/h7-10H,1-6H3
InChIKeyIXEKOQJUMTZAGF-UHFFFAOYSA-N
XLogP2.77
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one (CID 175832814) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one is Cn1c(=O)n(O[Si](C)(C)C(C)(C)C)c2ccccc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one?
The InChIKey is IXEKOQJUMTZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-14(2,3)19(5,6)18-16-12-10-8-7-9-11(12)15(4)13(16)17/h7-10H,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one has a molecular weight of 278.43 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzimidazol-2-one is sourced from PubChem (CID 175832814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).