(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine

C10H9N3O — CID 135445586

IUPAC(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7,14H,(H,11,13)/b12-7+
InChIKeyFZTHQGWRXISGFS-KPKJPENVSA-N
MW187.20 g/mol
LogP1.88
Rot. Bonds2

About (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine (PubChem CID 135445586) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
PubChem CID135445586
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7,14H,(H,11,13)/b12-7+
InChIKeyFZTHQGWRXISGFS-KPKJPENVSA-N
XLogP1.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine
CID 139218624
5-nitroso-2-phenyl-1H-imidazole
CID 87555999
2-phenyl-1H-imidazol-5-amine
CID 14960439
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
2-phenyl-1H-imidazol-5-amine;ruthenium
CID 157104947
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 6270282
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
CID 142648580
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine (CID 135445586) is (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine is O/N=C/c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine?
The InChIKey is FZTHQGWRXISGFS-KPKJPENVSA-N. The full InChI is InChI=1S/C10H9N3O/c14-12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7,14H,(H,11,13)/b12-7+.
What are the key properties of (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine has a molecular weight of 187.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135445586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).