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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Related Compounds

3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46310165
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
CID 59333360
2-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzimidazole
CID 115502173
(1R)-3-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[[propan-2-yl-[4-[6-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butyl]amino]methyl]cyclopentane-1,2-diol
CID 159438817
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
2-(2-chloroethyl)-1-(2-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 102699442
3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308378
[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
CID 158004110

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).