(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine

C16H12F2N4O2 — CID 56668996

IUPAC(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H12F2N4O2/c1-10-2-4-12(15(21-23)22-7-6-19-9-22)16(20-10)24-11-3-5-13(17)14(18)8-11/h2-9,23H,1H3/b21-15-
InChIKeyBUVOYNFYORPYQM-QNGOZBTKSA-N
MW330.29 g/mol
LogP3.34
Rot. Bonds3

About (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine

(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine (PubChem CID 56668996) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
PubChem CID56668996
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H12F2N4O2/c1-10-2-4-12(15(21-23)22-7-6-19-9-22)16(20-10)24-11-3-5-13(17)14(18)8-11/h2-9,23H,1H3/b21-15-
InChIKeyBUVOYNFYORPYQM-QNGOZBTKSA-N
XLogP3.34
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.34
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-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine (CID 56668996) is (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine is Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The InChIKey is BUVOYNFYORPYQM-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c1-10-2-4-12(15(21-23)22-7-6-19-9-22)16(20-10)24-11-3-5-13(17)14(18)8-11/h2-9,23H,1H3/b21-15-.
What are the key properties of (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
(NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine has a molecular weight of 330.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(3,4-difluorophenoxy)-6-methyl-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56668996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).