3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one

C19H14FN3O2 — CID 135432741

IUPAC3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H14FN3O2/c20-15-7-3-1-5-12(15)11-23-18(24)17(22-19(23)25)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,24H,11H2,(H,22,25)/b13-9+
InChIKeyJKRDUQBJKUVLBT-UKTHLTGXSA-N
MW335.34 g/mol
LogP3.33
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one

3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one (PubChem CID 135432741) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
PubChem CID135432741
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H14FN3O2/c20-15-7-3-1-5-12(15)11-23-18(24)17(22-19(23)25)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,24H,11H2,(H,22,25)/b13-9+
InChIKeyJKRDUQBJKUVLBT-UKTHLTGXSA-N
XLogP3.33
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 137263335
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 135718299
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
CID 135718295
1-(2-fluorophenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1134749
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
5-[(5-bromoindol-3-ylidene)methyl]-1-[(2-chlorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 1309660
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060
methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate
CID 135716812
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione
CID 135494648
4-[[5-[(Z)-(6-chloro-7-fluoroindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]benzonitrile
CID 176825685
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one (CID 135432741) is 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one is O=c1[nH]c(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one?
The InChIKey is JKRDUQBJKUVLBT-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-7-3-1-5-12(15)11-23-18(24)17(22-19(23)25)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,24H,11H2,(H,22,25)/b13-9+.
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one?
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one has a molecular weight of 335.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one is sourced from PubChem (CID 135432741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).