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

C19H14FN3O2 — CID 900291

IUPAC3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(C=C2C=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)
InChIKeyJKRDUQBJKUVLBT-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.33
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one (PubChem CID 900291) 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-(indol-3-ylidenemethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
PubChem CID900291
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(C=C2C=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)
InChIKeyJKRDUQBJKUVLBT-UHFFFAOYSA-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

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
(5E)-5-{[(3-aminophenyl)amino]methylidene}-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 4243406
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 135753560
Cmnpd3494
CID 227252
(5Z)-1-butyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135421582
(5E)-1-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135452102
3-(2-fluorobenzyl)-5-(1H-indol-3-ylmethylene)-2,4-imidazolidinedione
CID 135432741
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135451179
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 136056019

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one (CID 900291) is 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one is O=c1[nH]c(C=C2C=Nc3ccccc32)c(O)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The InChIKey is JKRDUQBJKUVLBT-UHFFFAOYSA-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).
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(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-(indol-3-ylidenemethyl)-1H-imidazol-2-one is sourced from PubChem (CID 900291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).