4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol

C18H27F3N2O2Si — CID 86705759

IUPAC4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
SMILESC[Si](C)(C)CCOCn1c(CCCCO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H27F3N2O2Si/c1-26(2,3)11-10-25-13-23-16-8-7-14(18(19,20)21)12-15(16)22-17(23)6-4-5-9-24/h7-8,12,24H,4-6,9-11,13H2,1-3H3
InChIKeyKPMWGHKWEHQJMZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.68
Rot. Bonds9

About 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol

4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol (PubChem CID 86705759) has the molecular formula C18H27F3N2O2Si and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
PubChem CID86705759
Molecular FormulaC18H27F3N2O2Si
Molecular Weight388.51 g/mol
Exact Mass388.18
IUPAC Name4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
SMILESC[Si](C)(C)CCOCn1c(CCCCO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H27F3N2O2Si/c1-26(2,3)11-10-25-13-23-16-8-7-14(18(19,20)21)12-15(16)22-17(23)6-4-5-9-24/h7-8,12,24H,4-6,9-11,13H2,1-3H3
InChIKeyKPMWGHKWEHQJMZ-UHFFFAOYSA-N
XLogP4.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol?
The IUPAC name of 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol (CID 86705759) is 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol is C[Si](C)(C)CCOCn1c(CCCCO)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol?
The InChIKey is KPMWGHKWEHQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O2Si/c1-26(2,3)11-10-25-13-23-16-8-7-14(18(19,20)21)12-15(16)22-17(23)6-4-5-9-24/h7-8,12,24H,4-6,9-11,13H2,1-3H3.
What are the key properties of 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol?
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol has a molecular weight of 388.51 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 86705759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).