2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole

C17H14F4N2O2 — CID 54672814

IUPAC2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C17H14F4N2O2/c1-2-24-15(10-6-8-11(9-7-10)25-17(19,20)21)16-22-13-5-3-4-12(18)14(13)23-16/h3-9,15H,2H2,1H3,(H,22,23)
InChIKeyTZWSSWBUUXGQPG-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.73
Rot. Bonds5

About 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole

2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole (PubChem CID 54672814) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole
PubChem CID54672814
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C17H14F4N2O2/c1-2-24-15(10-6-8-11(9-7-10)25-17(19,20)21)16-22-13-5-3-4-12(18)14(13)23-16/h3-9,15H,2H2,1H3,(H,22,23)
InChIKeyTZWSSWBUUXGQPG-UHFFFAOYSA-N
XLogP4.73
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 71294898
benzenesulfonic acid;2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-6-fluoro-1H-benzimidazole
CID 89428218
2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-6-fluoro-1H-benzimidazole;4-methylbenzenesulfonic acid
CID 89428526
1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
CID 175886024
2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine
CID 70648182
ethyl 2-(4-fluoro-1H-benzimidazol-2-yl)propanoate
CID 79474563
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
2-[[3-bromo-4-(trifluoromethoxy)phenyl]-ethoxymethyl]-6-fluoro-1H-benzimidazole
CID 70648773
(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 97052403
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
CID 79806891
6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
CID 54673270
tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane
CID 71294561

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole (CID 54672814) is 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole is CCOC(c1ccc(OC(F)(F)F)cc1)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole?
The InChIKey is TZWSSWBUUXGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-2-24-15(10-6-8-11(9-7-10)25-17(19,20)21)16-22-13-5-3-4-12(18)14(13)23-16/h3-9,15H,2H2,1H3,(H,22,23).
What are the key properties of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole?
2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole has a molecular weight of 354.30 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 54672814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).