(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine

C11H9Cl2N3O — CID 5480616

IUPAC(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
SMILESO/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+
InChIKeyWDFDJSRQMAZXEJ-RVDMUPIBSA-N
MW270.12 g/mol
LogP3.07
Rot. Bonds3

About (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine

(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine (PubChem CID 5480616) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
PubChem CID5480616
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
SMILESO/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+
InChIKeyWDFDJSRQMAZXEJ-RVDMUPIBSA-N
XLogP3.07
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sulconazole
CID 5318
Oxiconazole
CID 5353853
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1-imidazolyl)ethanimine
CID 5361463
1-[3-(4-Chlorophenyl)propyl]imidazole
CID 9991046
1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 6604421
1-(3,5-dichlorobenzyl)-1H-imidazole
CID 44414074
1-[Bis(4-chlorophenyl)methyl]-1H-imidazole
CID 20133543
1-[4-(4-chlorophenyl)butyl]-1H-imidazole
CID 25141505
1-[2-(2-Chlorophenyl)-3-(4-chlorophenyl)propyl]imidazole;nitric acid
CID 12391233
Aliconazole
CID 6436097
1H-Imidazole, 1-[2-(4-chlorophenyl)ethyl]-
CID 10330640

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine (CID 5480616) is (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine is O/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine?
The InChIKey is WDFDJSRQMAZXEJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+.
What are the key properties of (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine?
(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine has a molecular weight of 270.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine is sourced from PubChem (CID 5480616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).