2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C106H93F16N43O4S2 — CID 159158839

About 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 159158839) has the molecular formula C106H93F16N43O4S2 and a molecular weight of 2401.31 g/mol. Its IUPAC name is 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
• PubChem CID: 159158839
• Molecular Formula: C106H93F16N43O4S2
• Molecular Weight: 2401.31 g/mol
• Exact Mass: 2399.76
• IUPAC Name: 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
• SMILES: Cc1c(C(F)(F)F)ccc(-c2cc(C#N)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cc(C(F)(F)F)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cc(F)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2ccc(C)c3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1ccc(-c2ccc(/C(N)=N/C3CCNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/CCCN)cc2)c(C2=NCN=N2)c1S(N)(=O)=O
• InChI: InChI=1S/C20H23N7O2S.C19H23N7O2S.C17H11F6N7.C17H11F3N8.C17H14F3N7.C16H11F4N7/c1-12-2-7-16(17(18(12)30(22,28)29)20-24-11-25-27-20)13-3-5-14(6-4-13)19(21)26-15-8-9-23-10-15;1-12-3-8-15(16(17(12)29(22,27)28)19-24-11-25-26-19)13-4-6-14(7-5-13)18(21)23-10-2-9-20;1-6-10(17(21,22)23)3-2-8(12(6)14-27-29-30-28-14)9-4-7(16(18,19)20)5-11-13(9)26-15(24)25-11;1-7-11(17(18,19)20)3-2-9(13(7)15-25-27-28-26-15)10-4-8(6-21)5-12-14(10)24-16(22)23-12;1-7-3-4-10(14-13(7)22-16(21)23-14)9-5-6-11(17(18,19)20)8(2)12(9)15-24-26-27-25-15;1-6-10(16(18,19)20)3-2-8(12(6)14-24-26-27-25-14)9-4-7(17)5-11-13(9)23-15(21)22-11/h2-7,15,23H,8-11H2,1H3,(H2,21,26)(H2,22,28,29);3-8H,2,9-11,20H2,1H3,(H2,21,23)(H2,22,27,28);2-5H,1H3,(H3,24,25,26)(H,27,28,29,30);2-5H,1H3,(H3,22,23,24)(H,25,26,27,28);3-6H,1-2H3,(H3,21,22,23)(H,24,25,26,27);2-5H,1H3,(H3,21,22,23)(H,24,25,26,27)
• InChIKey: KKFWXKJGNLSRHT-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 769.72 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.31
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The IUPAC name of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 159158839) is 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

What is the SMILES notation for 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The canonical SMILES for 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is Cc1c(C(F)(F)F)ccc(-c2cc(C#N)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cc(C(F)(F)F)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cc(F)cc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2ccc(C)c3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1ccc(-c2ccc(/C(N)=N/C3CCNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/CCCN)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.

What is the InChIKey of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The InChIKey is KKFWXKJGNLSRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S.C19H23N7O2S.C17H11F6N7.C17H11F3N8.C17H14F3N7.C16H11F4N7/c1-12-2-7-16(17(18(12)30(22,28)29)20-24-11-25-27-20)13-3-5-14(6-4-13)19(21)26-15-8-9-23-10-15;1-12-3-8-15(16(17(12)29(22,27)28)19-24-11-25-26-19)13-4-6-14(7-5-13)18(21)23-10-2-9-20;1-6-10(17(21,22)23)3-2-8(12(6)14-27-29-30-28-14)9-4-7(16(18,19)20)5-11-13(9)26-15(24)25-11;1-7-11(17(18,19)20)3-2-9(13(7)15-25-27-28-26-15)10-4-8(6-21)5-12-14(10)24-16(22)23-12;1-7-3-4-10(14-13(7)22-16(21)23-14)9-5-6-11(17(18,19)20)8(2)12(9)15-24-26-27-25-15;1-6-10(16(18,19)20)3-2-8(12(6)14-24-26-27-25-14)9-4-7(17)5-11-13(9)23-15(21)22-11/h2-7,15,23H,8-11H2,1H3,(H2,21,26)(H2,22,28,29);3-8H,2,9-11,20H2,1H3,(H2,21,23)(H2,22,27,28);2-5H,1H3,(H3,24,25,26)(H,27,28,29,30);2-5H,1H3,(H3,22,23,24)(H,25,26,27,28);3-6H,1-2H3,(H3,21,22,23)(H,24,25,26,27);2-5H,1H3,(H3,21,22,23)(H,24,25,26,27).

What are the key properties of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 2401.31 g/mol, XLogP of 17.70, 20 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 159158839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).