O-(1H-benzimidazol-4-ylmethyl)hydroxylamine

C8H9N3O — CID 117276188

IUPACO-(1H-benzimidazol-4-ylmethyl)hydroxylamine
SMILESNOCc1cccc2[nH]cnc12
InChIInChI=1S/C8H9N3O/c9-12-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
InChIKeyJYOUXJSIMXTOAK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.95
Rot. Bonds2

About O-(1H-benzimidazol-4-ylmethyl)hydroxylamine

O-(1H-benzimidazol-4-ylmethyl)hydroxylamine (PubChem CID 117276188) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is O-(1H-benzimidazol-4-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1H-benzimidazol-4-ylmethyl)hydroxylamine
PubChem CID117276188
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC NameO-(1H-benzimidazol-4-ylmethyl)hydroxylamine
SMILESNOCc1cccc2[nH]cnc12
InChIInChI=1S/C8H9N3O/c9-12-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
InChIKeyJYOUXJSIMXTOAK-UHFFFAOYSA-N
XLogP0.95
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(1H-benzimidazol-4-ylmethyl)hydroxylamine?
The IUPAC name of O-(1H-benzimidazol-4-ylmethyl)hydroxylamine (CID 117276188) is O-(1H-benzimidazol-4-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1H-benzimidazol-4-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1H-benzimidazol-4-ylmethyl)hydroxylamine is NOCc1cccc2[nH]cnc12.
What is the InChIKey of O-(1H-benzimidazol-4-ylmethyl)hydroxylamine?
The InChIKey is JYOUXJSIMXTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-12-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11).
What are the key properties of O-(1H-benzimidazol-4-ylmethyl)hydroxylamine?
O-(1H-benzimidazol-4-ylmethyl)hydroxylamine has a molecular weight of 163.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1H-benzimidazol-4-ylmethyl)hydroxylamine is sourced from PubChem (CID 117276188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).