4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C18H16N6O2 — CID 72806687

IUPAC4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCON=C(Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-25-21-14(12-7-3-2-4-8-12)11-24-15-10-6-5-9-13(15)20-18(24)16-17(19)23-26-22-16/h2-10H,11H2,1H3,(H2,19,23)
InChIKeyUXFWJLNMLADGAR-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.72
Rot. Bonds5

About 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 72806687) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID72806687
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCON=C(Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-25-21-14(12-7-3-2-4-8-12)11-24-15-10-6-5-9-13(15)20-18(24)16-17(19)23-26-22-16/h2-10H,11H2,1H3,(H2,19,23)
InChIKeyUXFWJLNMLADGAR-UHFFFAOYSA-N
XLogP2.72
TPSA104.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 72806687) is 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CON=C(Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1.
What is the InChIKey of 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is UXFWJLNMLADGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-25-21-14(12-7-3-2-4-8-12)11-24-15-10-6-5-9-13(15)20-18(24)16-17(19)23-26-22-16/h2-10H,11H2,1H3,(H2,19,23).
What are the key properties of 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 348.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 72806687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).