6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one

C19H15ClFN3O3 — CID 89344073

IUPAC6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one
SMILESC=C1NC(=O)NC1(CN1Cc2cc(O)c(Cl)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O3/c1-10-19(23-18(27)22-10,12-2-4-13(21)5-3-12)9-24-8-11-6-16(25)15(20)7-14(11)17(24)26/h2-7,25H,1,8-9H2,(H2,22,23,27)
InChIKeyXTJWNNPWXWDGDT-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one

6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one (PubChem CID 89344073) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one
PubChem CID89344073
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one
SMILESC=C1NC(=O)NC1(CN1Cc2cc(O)c(Cl)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O3/c1-10-19(23-18(27)22-10,12-2-4-13(21)5-3-12)9-24-8-11-6-16(25)15(20)7-14(11)17(24)26/h2-7,25H,1,8-9H2,(H2,22,23,27)
InChIKeyXTJWNNPWXWDGDT-UHFFFAOYSA-N
XLogP2.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one?
The IUPAC name of 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one (CID 89344073) is 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one is C=C1NC(=O)NC1(CN1Cc2cc(O)c(Cl)cc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one?
The InChIKey is XTJWNNPWXWDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-10-19(23-18(27)22-10,12-2-4-13(21)5-3-12)9-24-8-11-6-16(25)15(20)7-14(11)17(24)26/h2-7,25H,1,8-9H2,(H2,22,23,27).
What are the key properties of 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one?
6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one has a molecular weight of 387.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(4-fluorophenyl)-5-methylidene-2-oxoimidazolidin-4-yl]methyl]-5-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 89344073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).