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

C14H15F2N3O3 — CID 141330598

IUPAC(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one
SMILESCC(O)C/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C14H15F2N3O3/c1-7(20)6-17-14-18-10(13(22)19-14)4-8-2-3-9(12(15)16)11(21)5-8/h2-5,7,12,20-21H,6H2,1H3,(H2,17,18,19,22)/b10-4-
InChIKeyVXPNSIGKNXBUTM-WMZJFQQLSA-N
MW311.29 g/mol
LogP1.13
Rot. Bonds4

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

(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one (PubChem CID 141330598) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one
PubChem CID141330598
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one
SMILESCC(O)C/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C14H15F2N3O3/c1-7(20)6-17-14-18-10(13(22)19-14)4-8-2-3-9(12(15)16)11(21)5-8/h2-5,7,12,20-21H,6H2,1H3,(H2,17,18,19,22)/b10-4-
InChIKeyVXPNSIGKNXBUTM-WMZJFQQLSA-N
XLogP1.13
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-hydroxypropylimino)imidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one (CID 141330598) is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one is CC(O)C/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-(2-hydroxypropylimino)imidazolidin-4-one?
The InChIKey is VXPNSIGKNXBUTM-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-7(20)6-17-14-18-10(13(22)19-14)4-8-2-3-9(12(15)16)11(21)5-8/h2-5,7,12,20-21H,6H2,1H3,(H2,17,18,19,22)/b10-4-.
What are the key properties of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one?
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one has a molecular weight of 311.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one is sourced from PubChem (CID 141330598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).