(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one

C11H9F2N3O2 — CID 141330600

IUPAC(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one
SMILESNC1=N/C(=C\c2ccc(C(F)F)c(O)c2)C(=O)N1
InChIInChI=1S/C11H9F2N3O2/c12-9(13)6-2-1-5(4-8(6)17)3-7-10(18)16-11(14)15-7/h1-4,9,17H,(H3,14,15,16,18)/b7-3-
InChIKeyFFIFQCXHWJKAHC-CLTKARDFSA-N
MW253.21 g/mol
LogP1.12
Rot. Bonds2

About (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one

(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one (PubChem CID 141330600) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one
PubChem CID141330600
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one
SMILESNC1=N/C(=C\c2ccc(C(F)F)c(O)c2)C(=O)N1
InChIInChI=1S/C11H9F2N3O2/c12-9(13)6-2-1-5(4-8(6)17)3-7-10(18)16-11(14)15-7/h1-4,9,17H,(H3,14,15,16,18)/b7-3-
InChIKeyFFIFQCXHWJKAHC-CLTKARDFSA-N
XLogP1.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Polyandrocarpamine B
CID 135495066
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-propyliminoimidazolidin-4-one
CID 136026134
4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
CID 136930533
(4Z)-2-hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one
CID 135494018
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2,3-dihydroxypropylimino)imidazolidin-4-one
CID 141330597
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-(2-hydroxypropylimino)imidazolidin-4-one
CID 141330598
(4Z)-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1,2,5-thiadiazolidin-3-one
CID 141330599
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-propyliminoimidazolidin-4-one
CID 141330601
(4Z)-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-[2,3-dihydroxypropyl(methyl)amino]-1H-imidazol-5-one
CID 141330602
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one
CID 141330603
(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one
CID 141330604
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-3-(2-hydroxyethylamino)imidazol-4-one
CID 141330606

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one (CID 141330600) is (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one is NC1=N/C(=C\c2ccc(C(F)F)c(O)c2)C(=O)N1.
What is the InChIKey of (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one?
The InChIKey is FFIFQCXHWJKAHC-CLTKARDFSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-9(13)6-2-1-5(4-8(6)17)3-7-10(18)16-11(14)15-7/h1-4,9,17H,(H3,14,15,16,18)/b7-3-.
What are the key properties of (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one?
(4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one has a molecular weight of 253.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 141330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).