1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone

C18H14F4N2O2 — CID 163540483

IUPAC1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
SMILESCOc1cccc(Cn2c(C(F)(F)F)nc3cc(C(C)=O)ccc32)c1F
InChIInChI=1S/C18H14F4N2O2/c1-10(25)11-6-7-14-13(8-11)23-17(18(20,21)22)24(14)9-12-4-3-5-15(26-2)16(12)19/h3-8H,9H2,1-2H3
InChIKeyFARBZFKZTLUGJT-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.45
Rot. Bonds4

About 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone (PubChem CID 163540483) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
PubChem CID163540483
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
SMILESCOc1cccc(Cn2c(C(F)(F)F)nc3cc(C(C)=O)ccc32)c1F
InChIInChI=1S/C18H14F4N2O2/c1-10(25)11-6-7-14-13(8-11)23-17(18(20,21)22)24(14)9-12-4-3-5-15(26-2)16(12)19/h3-8H,9H2,1-2H3
InChIKeyFARBZFKZTLUGJT-UHFFFAOYSA-N
XLogP4.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
1-[4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51932175
N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 75422212
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
2-hydroxy-1-[4-[[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]ethanone
CID 158539548
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 116621365
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
2-[4-[[[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]methyl]cyclohexyl]acetic acid
CID 130293607
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone (CID 163540483) is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone is COc1cccc(Cn2c(C(F)(F)F)nc3cc(C(C)=O)ccc32)c1F.
What is the InChIKey of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone?
The InChIKey is FARBZFKZTLUGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-10(25)11-6-7-14-13(8-11)23-17(18(20,21)22)24(14)9-12-4-3-5-15(26-2)16(12)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone?
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone has a molecular weight of 366.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone is sourced from PubChem (CID 163540483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).