2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol

C17H15F3N2O — CID 46308123

IUPAC2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-6-7-15-14(11-13)21-16(22(15)8-9-23)10-12-4-2-1-3-5-12/h1-7,11,23H,8-10H2
InChIKeyPLRWTSLTKWPWRO-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.64
Rot. Bonds4

About 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol

2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol (PubChem CID 46308123) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
PubChem CID46308123
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-6-7-15-14(11-13)21-16(22(15)8-9-23)10-12-4-2-1-3-5-12/h1-7,11,23H,8-10H2
InChIKeyPLRWTSLTKWPWRO-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 42643866
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
CID 134084220
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
CID 46309336
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-ethoxyethyl)-5-(trifluoromethyl)benzimidazole
CID 46309205
1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46308666

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol (CID 46308123) is 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol is OCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The InChIKey is PLRWTSLTKWPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)13-6-7-15-14(11-13)21-16(22(15)8-9-23)10-12-4-2-1-3-5-12/h1-7,11,23H,8-10H2.
What are the key properties of 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol has a molecular weight of 320.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 46308123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).