3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one

C20H23FN2O2 — CID 134084700

IUPAC3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCCC(CC)Cn1c(=O)[nH]c2cc(-c3cc(F)ccc3OC)ccc21
InChIInChI=1S/C20H23FN2O2/c1-4-13(5-2)12-23-18-8-6-14(10-17(18)22-20(23)24)16-11-15(21)7-9-19(16)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyXVFMXUFEJMARIZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.58
Rot. Bonds6

About 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one

3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 134084700) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
PubChem CID134084700
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCCC(CC)Cn1c(=O)[nH]c2cc(-c3cc(F)ccc3OC)ccc21
InChIInChI=1S/C20H23FN2O2/c1-4-13(5-2)12-23-18-8-6-14(10-17(18)22-20(23)24)16-11-15(21)7-9-19(16)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyXVFMXUFEJMARIZ-UHFFFAOYSA-N
XLogP4.58
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 134084681
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
3-(2-ethyl-5-methoxyhexyl)-1H-benzimidazol-2-one
CID 167055870
3-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(4-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 156838429
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 138735583
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
methyl 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)butanoate
CID 110491164
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one (CID 134084700) is 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one is CCC(CC)Cn1c(=O)[nH]c2cc(-c3cc(F)ccc3OC)ccc21.
What is the InChIKey of 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is XVFMXUFEJMARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-4-13(5-2)12-23-18-8-6-14(10-17(18)22-20(23)24)16-11-15(21)7-9-19(16)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 342.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 134084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).