2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol

C18H15F3N4O — CID 2772843

IUPAC2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)17-23-13-6-2-4-8-15(13)25(17)11-16-22-12-5-1-3-7-14(12)24(16)9-10-26/h1-8,26H,9-11H2
InChIKeyLWOOZNUQNKSQCK-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.45
Rot. Bonds4

About 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol

2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol (PubChem CID 2772843) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
PubChem CID2772843
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)17-23-13-6-2-4-8-15(13)25(17)11-16-22-12-5-1-3-7-14(12)24(16)9-10-26/h1-8,26H,9-11H2
InChIKeyLWOOZNUQNKSQCK-UHFFFAOYSA-N
XLogP3.45
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 115458039
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CID 19615374
methyl-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]borinic acid
CID 70965481
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzenecarbothioamide
CID 82032157
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
CID 107272675
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol (CID 2772843) is 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol is OCCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The InChIKey is LWOOZNUQNKSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)17-23-13-6-2-4-8-15(13)25(17)11-16-22-12-5-1-3-7-14(12)24(16)9-10-26/h1-8,26H,9-11H2.
What are the key properties of 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol has a molecular weight of 360.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 2772843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).