N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine

C12H13N3O2 — CID 820947

IUPACN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCn1ccnc1COc1ccc(C=NO)cc1
InChIInChI=1S/C12H13N3O2/c1-15-7-6-13-12(15)9-17-11-4-2-10(3-5-11)8-14-16/h2-8,16H,9H2,1H3
InChIKeyWLMXKWOSOIXTIU-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.81
Rot. Bonds4

About N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine

N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 820947) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID820947
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCn1ccnc1COc1ccc(C=NO)cc1
InChIInChI=1S/C12H13N3O2/c1-15-7-6-13-12(15)9-17-11-4-2-10(3-5-11)8-14-16/h2-8,16H,9H2,1H3
InChIKeyWLMXKWOSOIXTIU-UHFFFAOYSA-N
XLogP1.81
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.81
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

(NZ)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 5409333
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658522
(E)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 52658518
3-[4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 55883594
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine (CID 820947) is N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine is Cn1ccnc1COc1ccc(C=NO)cc1.
What is the InChIKey of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is WLMXKWOSOIXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-7-6-13-12(15)9-17-11-4-2-10(3-5-11)8-14-16/h2-8,16H,9H2,1H3.
What are the key properties of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 231.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 820947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).