N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen

C54H52N10O4 — CID 157441510

About N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen

N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen (PubChem CID 157441510) has the molecular formula C54H52N10O4 and a molecular weight of 905.08 g/mol. Its IUPAC name is N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen.

Molecular Properties

• Compound Name: N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen
• PubChem CID: 157441510
• Molecular Formula: C54H52N10O4
• Molecular Weight: 905.08 g/mol
• Exact Mass: 904.42
• IUPAC Name: N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1ccc(C(N)=O)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(NCc3ccccc3)nc12.NN=NN[N+](=O)[O-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H25N5O2.C27H4.H3N5O2.10H2/c1-15-9-10-19(26(28)33)11-21(15)22-12-20(24-16(2)32-34-17(24)3)13-23-25(22)31-27(30-23)29-14-18-7-5-4-6-8-18;1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5(6)7;;;;;;;;;;/h4-13H,14H2,1-3H3,(H2,28,33)(H2,29,30,31);1H,2H3;(H2,1,3)(H,2,4);10*1H
• InChIKey: VGZWTKCUXSYNMV-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 215.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.08
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen?

The IUPAC name of N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen (CID 157441510) is N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen.

What is the SMILES notation for N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen?

The canonical SMILES for N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1ccc(C(N)=O)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(NCc3ccccc3)nc12.NN=NN[N+](=O)[O-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen?

The InChIKey is VGZWTKCUXSYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C27H4.H3N5O2.10H2/c1-15-9-10-19(26(28)33)11-21(15)22-12-20(24-16(2)32-34-17(24)3)13-23-25(22)31-27(30-23)29-14-18-7-5-4-6-8-18;1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5(6)7;;;;;;;;;;/h4-13H,14H2,1-3H3,(H2,28,33)(H2,29,30,31);1H,2H3;(H2,1,3)(H,2,4);10*1H.

What are the key properties of N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen?

N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen has a molecular weight of 905.08 g/mol, XLogP of 7.67, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(aminodiazenyl)nitramide;3-[2-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;molecular hydrogen is sourced from PubChem (CID 157441510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).