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

C17H17N5O2 — CID 135494020

IUPAC(4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCN(C)c1ccc(/C=N/NC2=N/C(=C\c3ccco3)C(=O)N2)cc1
InChIInChI=1S/C17H17N5O2/c1-22(2)13-7-5-12(6-8-13)11-18-21-17-19-15(16(23)20-17)10-14-4-3-9-24-14/h3-11H,1-2H3,(H2,19,20,21,23)/b15-10-,18-11+
InChIKeyWTVIUSGONOKESV-ODXRKRKHSA-N
MW323.36 g/mol
LogP1.80
Rot. Bonds4

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

(4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135494020) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135494020
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCN(C)c1ccc(/C=N/NC2=N/C(=C\c3ccco3)C(=O)N2)cc1
InChIInChI=1S/C17H17N5O2/c1-22(2)13-7-5-12(6-8-13)11-18-21-17-19-15(16(23)20-17)10-14-4-3-9-24-14/h3-11H,1-2H3,(H2,19,20,21,23)/b15-10-,18-11+
InChIKeyWTVIUSGONOKESV-ODXRKRKHSA-N
XLogP1.80
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

4-(diethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
CID 6167753
(2E)-N-({N'-[(E)-[4-(Diethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-3-(furan-2-YL)prop-2-enamide
CID 9667727
4-(dimethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
CID 6873166
(2E)-N-({N'-[(E)-[4-(Dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-3-(furan-2-YL)prop-2-enamide
CID 9670814
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
CID 5410275
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9555438
N'-[(E)-(Furan-2-YL)methylidene]-2-[(4-methylphenyl)amino]propanehydrazide
CID 9688274
1-[[4-(Dimethylamino)phenyl]methylideneamino]-3-(2-furanylmethyl)thiourea
CID 829173
(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135450762
Furfuraldehyde-4-p-tolylthiosemicarbazone
CID 832827
2-furaldehyde N-(4-methylphenyl)thiosemicarbazone
CID 6875590
N-(furan-2-ylmethylideneamino)-2-(4-methylanilino)acetamide
CID 72181277

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 135494020) is (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is CN(C)c1ccc(/C=N/NC2=N/C(=C\c3ccco3)C(=O)N2)cc1.
What is the InChIKey of (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is WTVIUSGONOKESV-ODXRKRKHSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22(2)13-7-5-12(6-8-13)11-18-21-17-19-15(16(23)20-17)10-14-4-3-9-24-14/h3-11H,1-2H3,(H2,19,20,21,23)/b15-10-,18-11+.
What are the key properties of (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 323.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135494020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).