(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine

C11H11N3O2 — CID 137167926

IUPAC(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESCOc1ccc(-n2ccnc2/C=N/O)cc1
InChIInChI=1S/C11H11N3O2/c1-16-10-4-2-9(3-5-10)14-7-6-12-11(14)8-13-15/h2-8,15H,1H3/b13-8+
InChIKeyHNPNQZAJKIYCAV-MDWZMJQESA-N
MW217.23 g/mol
LogP1.69
Rot. Bonds3

About (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine

(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine (PubChem CID 137167926) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
PubChem CID137167926
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESCOc1ccc(-n2ccnc2/C=N/O)cc1
InChIInChI=1S/C11H11N3O2/c1-16-10-4-2-9(3-5-10)14-7-6-12-11(14)8-13-15/h2-8,15H,1H3/b13-8+
InChIKeyHNPNQZAJKIYCAV-MDWZMJQESA-N
XLogP1.69
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

CID 172687865
CID 172687865
N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
CID 71410965
4-[2-(4-methoxyphenyl)imidazol-1-yl]pyridine
CID 57150181
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
5-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpentan-2-one
CID 134005509
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
CID 74239795
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine (CID 137167926) is (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine is COc1ccc(-n2ccnc2/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine?
The InChIKey is HNPNQZAJKIYCAV-MDWZMJQESA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-4-2-9(3-5-10)14-7-6-12-11(14)8-13-15/h2-8,15H,1H3/b13-8+.
What are the key properties of (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine?
(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine has a molecular weight of 217.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 137167926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).