N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane

C19H19ClN6O3 — CID 173038985

About N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane

N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane (PubChem CID 173038985) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane.

Molecular Properties

• Compound Name: N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
• PubChem CID: 173038985
• Molecular Formula: C19H19ClN6O3
• Molecular Weight: 414.85 g/mol
• Exact Mass: 414.12
• IUPAC Name: N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
• SMILES: COC.Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccc(Cl)cc1
• InChI: InChI=1S/C17H13ClN6O2.C2H6O/c18-11-7-5-10(6-8-11)13(21-25)9-24-14-4-2-1-3-12(14)20-17(24)15-16(19)23-26-22-15;1-3-2/h1-8,25H,9H2,(H2,19,23);1-2H3
• InChIKey: BSDHRBWDNOOZTC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 124.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.85
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane?

The IUPAC name of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane (CID 173038985) is N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane.

What is the SMILES notation for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane?

The canonical SMILES for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane is COC.Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccc(Cl)cc1.

What is the InChIKey of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane?

The InChIKey is BSDHRBWDNOOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2.C2H6O/c18-11-7-5-10(6-8-11)13(21-25)9-24-14-4-2-1-3-12(14)20-17(24)15-16(19)23-26-22-15;1-3-2/h1-8,25H,9H2,(H2,19,23);1-2H3.

What are the key properties of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane?

N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane has a molecular weight of 414.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane is sourced from PubChem (CID 173038985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).