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

C11H11N3O2 — CID 71410965

IUPACN-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
SMILESCOc1ccc(-n2cnc(C=NO)c2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-11-4-2-10(3-5-11)14-7-9(6-13-15)12-8-14/h2-8,15H,1H3
InChIKeyZHEPZAZUAAAMHJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.69
Rot. Bonds3

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

N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine (PubChem CID 71410965) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
PubChem CID71410965
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
SMILESCOc1ccc(-n2cnc(C=NO)c2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-11-4-2-10(3-5-11)14-7-9(6-13-15)12-8-14/h2-8,15H,1H3
InChIKeyZHEPZAZUAAAMHJ-UHFFFAOYSA-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'}

Analyze N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
CID 137167926
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
1-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 66521574
carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
CID 122553058
N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
1-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 100816353
N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
CID 173421063
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide
CID 100816346
1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
CID 13019898
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide
CID 100816237

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine (CID 71410965) is N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine is COc1ccc(-n2cnc(C=NO)c2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine?
The InChIKey is ZHEPZAZUAAAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11-4-2-10(3-5-11)14-7-9(6-13-15)12-8-14/h2-8,15H,1H3.
What are the key properties of N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine?
N-[[1-(4-methoxyphenyl)imidazol-4-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 N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 71410965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).