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

C16H13ClN4O2 — CID 56682232

IUPAC(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H13ClN4O2/c1-11-18-8-9-21(11)16(20-22)12-2-7-15(19-10-12)23-14-5-3-13(17)4-6-14/h2-10,22H,1H3/b20-16-
InChIKeyUHDPYFMYSMHLEW-SILNSSARSA-N
MW328.76 g/mol
LogP3.72
Rot. Bonds3

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

(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56682232) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56682232
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H13ClN4O2/c1-11-18-8-9-21(11)16(20-22)12-2-7-15(19-10-12)23-14-5-3-13(17)4-6-14/h2-10,22H,1H3/b20-16-
InChIKeyUHDPYFMYSMHLEW-SILNSSARSA-N
XLogP3.72
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.72
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-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56682232) is (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1nccn1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is UHDPYFMYSMHLEW-SILNSSARSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-11-18-8-9-21(11)16(20-22)12-2-7-15(19-10-12)23-14-5-3-13(17)4-6-14/h2-10,22H,1H3/b20-16-.
What are the key properties of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 328.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56682232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).