O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine

C9H11N3O — CID 142734516

IUPACO-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
SMILESNOCCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3O/c10-13-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKeyBBQXYFNSRSODQR-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.00
Rot. Bonds3

About O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine

O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine (PubChem CID 142734516) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
PubChem CID142734516
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameO-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
SMILESNOCCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3O/c10-13-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKeyBBQXYFNSRSODQR-UHFFFAOYSA-N
XLogP1.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.00
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine (CID 142734516) is O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine is NOCCc1nc2ccccc2[nH]1.
What is the InChIKey of O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine?
The InChIKey is BBQXYFNSRSODQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-13-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12).
What are the key properties of O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine?
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine has a molecular weight of 177.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 142734516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).