O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine

C11H13N3O — CID 117291724

IUPACO-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
SMILESCc1nccn1-c1ccc(CON)cc1
InChIInChI=1S/C11H13N3O/c1-9-13-6-7-14(9)11-4-2-10(3-5-11)8-15-12/h2-7H,8,12H2,1H3
InChIKeyRIALJGVODPBION-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.57
Rot. Bonds3

About O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine

O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine (PubChem CID 117291724) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
PubChem CID117291724
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameO-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
SMILESCc1nccn1-c1ccc(CON)cc1
InChIInChI=1S/C11H13N3O/c1-9-13-6-7-14(9)11-4-2-10(3-5-11)8-15-12/h2-7H,8,12H2,1H3
InChIKeyRIALJGVODPBION-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
1-(4-butoxyphenyl)-2-methylimidazole
CID 11148936
1-(4-ethenylphenyl)-2-methylimidazole
CID 167585504
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 82391333
1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide
CID 67576645
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile
CID 67577367
[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 62945208
1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
CID 82513449
N-[2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentanecarboxamide
CID 67576644
3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117353119

Frequently Asked Questions

What is the IUPAC name of O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine (CID 117291724) is O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine is Cc1nccn1-c1ccc(CON)cc1.
What is the InChIKey of O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine?
The InChIKey is RIALJGVODPBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-13-6-7-14(9)11-4-2-10(3-5-11)8-15-12/h2-7H,8,12H2,1H3.
What are the key properties of O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine?
O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine has a molecular weight of 203.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117291724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).