4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C24H28N10O3Si — CID 159906434

About 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 159906434) has the molecular formula C24H28N10O3Si and a molecular weight of 532.64 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
• PubChem CID: 159906434
• Molecular Formula: C24H28N10O3Si
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.21
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
• SMILES: C[Si](C)(C)CCOCn1c(-c2nonc2N)nc2ccccc21.Nc1nonc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C15H21N5O2Si.C9H7N5O/c1-23(2,3)9-8-21-10-20-12-7-5-4-6-11(12)17-15(20)13-14(16)19-22-18-13;10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h4-7H,8-10H2,1-3H3,(H2,16,19);1-4H,(H2,10,14)(H,11,12)
• InChIKey: NWQCZNKPIXMNFZ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 185.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 159906434) is 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is C[Si](C)(C)CCOCn1c(-c2nonc2N)nc2ccccc21.Nc1nonc1-c1nc2ccccc2[nH]1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?

The InChIKey is NWQCZNKPIXMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2Si.C9H7N5O/c1-23(2,3)9-8-21-10-20-12-7-5-4-6-11(12)17-15(20)13-14(16)19-22-18-13;10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h4-7H,8-10H2,1-3H3,(H2,16,19);1-4H,(H2,10,14)(H,11,12).

What are the key properties of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?

4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 532.64 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 159906434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).