N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane

C50H53F2N15O2 — CID 142311544

About N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane

N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane (PubChem CID 142311544) has the molecular formula C50H53F2N15O2 and a molecular weight of 934.07 g/mol. Its IUPAC name is N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane.

Molecular Properties

• Compound Name: N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane
• PubChem CID: 142311544
• Molecular Formula: C50H53F2N15O2
• Molecular Weight: 934.07 g/mol
• Exact Mass: 933.45
• IUPAC Name: N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane
• SMILES: CC.CCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cc(F)cc12.[H]/N=N/N=C(\N)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1cc(C)nc2ccccc12
• InChI: InChI=1S/C25H23F2N7O.C23H24N8O.C2H6/c1-2-3-22-31-24-18(25-29-14-30-32-25)12-16(33-6-8-35-9-7-33)13-21(24)34(22)20-4-5-28-23-17(20)10-15(26)11-19(23)27;1-14-11-20(17-5-3-4-6-19(17)26-14)31-15(2)27-22-18(23(24)28-29-25)12-16(13-21(22)31)30-7-9-32-10-8-30;1-2/h4-5,10-14H,2-3,6-9H2,1H3,(H,29,30,32);3-6,11-13H,7-10H2,1-2H3,(H3,24,25,28);1-2H3
• InChIKey: POXPPFVXGRZMRF-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 202.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.07
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane?

The IUPAC name of N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane (CID 142311544) is N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane.

What is the SMILES notation for N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane?

The canonical SMILES for N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane is CC.CCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cc(F)cc12.[H]/N=N/N=C(\N)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1cc(C)nc2ccccc12.

What is the InChIKey of N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane?

The InChIKey is POXPPFVXGRZMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O.C23H24N8O.C2H6/c1-2-3-22-31-24-18(25-29-14-30-32-25)12-16(33-6-8-35-9-7-33)13-21(24)34(22)20-4-5-28-23-17(20)10-15(26)11-19(23)27;1-14-11-20(17-5-3-4-6-19(17)26-14)31-15(2)27-22-18(23(24)28-29-25)12-16(13-21(22)31)30-7-9-32-10-8-30;1-2/h4-5,10-14H,2-3,6-9H2,1H3,(H,29,30,32);3-6,11-13H,7-10H2,1-2H3,(H3,24,25,28);1-2H3.

What are the key properties of N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane?

N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane has a molecular weight of 934.07 g/mol, XLogP of 9.13, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N'-diazenyl-2-methyl-1-(2-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboximidamide;4-[3-(6,8-difluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;ethane is sourced from PubChem (CID 142311544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).