(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one

C19H19N5O2 — CID 135505217

IUPAC(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(N/N=C/c3ccccc3O)NC2=O)cc1
InChIInChI=1S/C19H19N5O2/c1-24(2)15-9-7-13(8-10-15)11-16-18(26)22-19(21-16)23-20-12-14-5-3-4-6-17(14)25/h3-12,25H,1-2H3,(H2,21,22,23,26)/b16-11-,20-12+
InChIKeyWYEJQPADWQZZGG-ULQIOQDBSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds4

About (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one

(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one (PubChem CID 135505217) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one
PubChem CID135505217
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(N/N=C/c3ccccc3O)NC2=O)cc1
InChIInChI=1S/C19H19N5O2/c1-24(2)15-9-7-13(8-10-15)11-16-18(26)22-19(21-16)23-20-12-14-5-3-4-6-17(14)25/h3-12,25H,1-2H3,(H2,21,22,23,26)/b16-11-,20-12+
InChIKeyWYEJQPADWQZZGG-ULQIOQDBSA-N
XLogP1.91
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
CID 135517161
2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135521623
N-[4-[[(E)-(2-hydroxyphenyl)methyleneamino]carbamoylamino]phenyl]acetamide
CID 135415566
[(E)-1-[4-[(4E)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]ethylideneamino]thiourea
CID 76312806
[(E)-1-[4-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]ethylideneamino]thiourea
CID 76320024
[(E)-1-[4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]ethylideneamino]thiourea
CID 76323687
1-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea
CID 1276303
(E)-2-(2-(2-(2-hydroxybenzylidene)hydrazinyl)-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 135632224
(E)-N-(2-fluorophenyl)-2-(2-(2-(2-hydroxybenzylidene)hydrazinyl)-5-oxo-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 135632377
(E)-N-(2,6-difluorophenyl)-2-(2-(2-(2-hydroxybenzylidene)hydrazinyl)-5-oxo-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 135634061
(E)-N-(3,4-difluorophenyl)-2-(2-(2-(2-hydroxybenzylidene)hydrazinyl)-5-oxo-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 135634651
(2E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
CID 135658045

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one (CID 135505217) is (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one is CN(C)c1ccc(/C=C2\N=C(N/N=C/c3ccccc3O)NC2=O)cc1.
What is the InChIKey of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one?
The InChIKey is WYEJQPADWQZZGG-ULQIOQDBSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24(2)15-9-7-13(8-10-15)11-16-18(26)22-19(21-16)23-20-12-14-5-3-4-6-17(14)25/h3-12,25H,1-2H3,(H2,21,22,23,26)/b16-11-,20-12+.
What are the key properties of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one?
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one has a molecular weight of 349.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one is sourced from PubChem (CID 135505217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).