(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one

C14H15F2N3O4 — CID 141330597

IUPAC(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one
SMILESO=C1N/C(=N\CC(O)CO)N/C1=C\c1ccc(C(F)F)c(O)c1
InChIInChI=1S/C14H15F2N3O4/c15-12(16)9-2-1-7(4-11(9)22)3-10-13(23)19-14(18-10)17-5-8(21)6-20/h1-4,8,12,20-22H,5-6H2,(H2,17,18,19,23)/b10-3-
InChIKeySVIOKJJSOZDUSN-KMKOMSMNSA-N
MW327.29 g/mol
LogP0.10
Rot. Bonds5

About (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one

(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one (PubChem CID 141330597) has the molecular formula C14H15F2N3O4 and a molecular weight of 327.29 g/mol. Its IUPAC name is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one
PubChem CID141330597
Molecular FormulaC14H15F2N3O4
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one
SMILESO=C1N/C(=N\CC(O)CO)N/C1=C\c1ccc(C(F)F)c(O)c1
InChIInChI=1S/C14H15F2N3O4/c15-12(16)9-2-1-7(4-11(9)22)3-10-13(23)19-14(18-10)17-5-8(21)6-20/h1-4,8,12,20-22H,5-6H2,(H2,17,18,19,23)/b10-3-
InChIKeySVIOKJJSOZDUSN-KMKOMSMNSA-N
XLogP0.10
TPSA114.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one (CID 141330597) is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one is O=C1N/C(=N\CC(O)CO)N/C1=C\c1ccc(C(F)F)c(O)c1.
What is the InChIKey of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one?
The InChIKey is SVIOKJJSOZDUSN-KMKOMSMNSA-N. The full InChI is InChI=1S/C14H15F2N3O4/c15-12(16)9-2-1-7(4-11(9)22)3-10-13(23)19-14(18-10)17-5-8(21)6-20/h1-4,8,12,20-22H,5-6H2,(H2,17,18,19,23)/b10-3-.
What are the key properties of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one?
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one has a molecular weight of 327.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one is sourced from PubChem (CID 141330597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).