[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone

C20H14F4N4O — CID 70531523

IUPAC[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN=C1Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C20H14F4N4O/c21-14-6-3-5-13(20(22,23)24)17(14)27-19-25-10-11-28(19)18(29)16-9-8-12-4-1-2-7-15(12)26-16/h1-9H,10-11H2,(H,25,27)
InChIKeyVADZHSPKCKUPQG-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.32
Rot. Bonds2

About [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone

[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone (PubChem CID 70531523) has the molecular formula C20H14F4N4O and a molecular weight of 402.35 g/mol. Its IUPAC name is [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone
PubChem CID70531523
Molecular FormulaC20H14F4N4O
Molecular Weight402.35 g/mol
Exact Mass402.11
IUPAC Name[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN=C1Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C20H14F4N4O/c21-14-6-3-5-13(20(22,23)24)17(14)27-19-25-10-11-28(19)18(29)16-9-8-12-4-1-2-7-15(12)26-16/h1-9H,10-11H2,(H,25,27)
InChIKeyVADZHSPKCKUPQG-UHFFFAOYSA-N
XLogP4.32
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[6-methyl-2-(quinoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 59585724
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
[2-fluoro-6-(trifluoromethyl)phenyl]urea
CID 83403332
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
N-(2,6-difluorophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100342
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257

Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone (CID 70531523) is [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN=C1Nc1c(F)cccc1C(F)(F)F.
What is the InChIKey of [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone?
The InChIKey is VADZHSPKCKUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O/c21-14-6-3-5-13(20(22,23)24)17(14)27-19-25-10-11-28(19)18(29)16-9-8-12-4-1-2-7-15(12)26-16/h1-9H,10-11H2,(H,25,27).
What are the key properties of [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone?
[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone has a molecular weight of 402.35 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 70531523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).