1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one

C17H26N2O3Si — CID 22477777

IUPAC1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
SMILESCCC(=O)c1nc2cc(OC)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C17H26N2O3Si/c1-6-16(20)17-18-14-11-13(21-2)7-8-15(14)19(17)12-22-9-10-23(3,4)5/h7-8,11H,6,9-10,12H2,1-5H3
InChIKeyWOXMXQJDEMNLAD-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.95
Rot. Bonds8

About 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one

1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one (PubChem CID 22477777) has the molecular formula C17H26N2O3Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
PubChem CID22477777
Molecular FormulaC17H26N2O3Si
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
SMILESCCC(=O)c1nc2cc(OC)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C17H26N2O3Si/c1-6-16(20)17-18-14-11-13(21-2)7-8-15(14)19(17)12-22-9-10-23(3,4)5/h7-8,11H,6,9-10,12H2,1-5H3
InChIKeyWOXMXQJDEMNLAD-UHFFFAOYSA-N
XLogP3.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
N-[3-(2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451761
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
CID 139451763
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
CID 139451769
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one?
The IUPAC name of 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one (CID 22477777) is 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one is CCC(=O)c1nc2cc(OC)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one?
The InChIKey is WOXMXQJDEMNLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3Si/c1-6-16(20)17-18-14-11-13(21-2)7-8-15(14)19(17)12-22-9-10-23(3,4)5/h7-8,11H,6,9-10,12H2,1-5H3.
What are the key properties of 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one?
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one has a molecular weight of 334.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one is sourced from PubChem (CID 22477777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).