(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

C17H15ClN4O2 — CID 56672926

IUPAC(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)n2ccnc2C)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-11-3-8-15(16(21-23)22-10-9-19-12(22)2)17(20-11)24-14-6-4-13(18)5-7-14/h3-10,23H,1-2H3/b21-16-
InChIKeyNACKNRLSIUBFDP-PGMHBOJBSA-N
MW342.79 g/mol
LogP4.02
Rot. Bonds3

About (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56672926) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56672926
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)n2ccnc2C)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-11-3-8-15(16(21-23)22-10-9-19-12(22)2)17(20-11)24-14-6-4-13(18)5-7-14/h3-10,23H,1-2H3/b21-16-
InChIKeyNACKNRLSIUBFDP-PGMHBOJBSA-N
XLogP4.02
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56672926) is (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1ccc(/C(=N/O)n2ccnc2C)c(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is NACKNRLSIUBFDP-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-3-8-15(16(21-23)22-10-9-19-12(22)2)17(20-11)24-14-6-4-13(18)5-7-14/h3-10,23H,1-2H3/b21-16-.
What are the key properties of (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 342.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56672926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).