(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one

C14H15F2N3O2 — CID 141330601

IUPAC(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C14H15F2N3O2/c1-2-5-17-14-18-10(13(21)19-14)6-8-3-4-9(12(15)16)11(20)7-8/h3-4,6-7,12,20H,2,5H2,1H3,(H2,17,18,19,21)/b10-6-
InChIKeyOALPTTAOROIYNB-POHAHGRESA-N
MW295.29 g/mol
LogP2.16
Rot. Bonds4

About (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one

(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one (PubChem CID 141330601) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one
PubChem CID141330601
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C14H15F2N3O2/c1-2-5-17-14-18-10(13(21)19-14)6-8-3-4-9(12(15)16)11(20)7-8/h3-4,6-7,12,20H,2,5H2,1H3,(H2,17,18,19,21)/b10-6-
InChIKeyOALPTTAOROIYNB-POHAHGRESA-N
XLogP2.16
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-propyliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one (CID 141330601) is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one is CCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1.
What is the InChIKey of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one?
The InChIKey is OALPTTAOROIYNB-POHAHGRESA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-5-17-14-18-10(13(21)19-14)6-8-3-4-9(12(15)16)11(20)7-8/h3-4,6-7,12,20H,2,5H2,1H3,(H2,17,18,19,21)/b10-6-.
What are the key properties of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one?
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one has a molecular weight of 295.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 141330601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).