2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C112H85F22N51O2S — CID 158216281

About 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 158216281) has the molecular formula C112H85F22N51O2S and a molecular weight of 2627.29 g/mol. Its IUPAC name is 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
• PubChem CID: 158216281
• Molecular Formula: C112H85F22N51O2S
• Molecular Weight: 2627.29 g/mol
• Exact Mass: 2625.75
• IUPAC Name: 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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.Cc1c(C(F)(F)F)ccc(-c2ccnc3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cncc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1nc(N)ccc1Cc1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
• InChI: InChI=1S/C17H11F6N7.C17H11F3N8.C17H14F3N7.C16H11F4N7.2C15H11F3N8.C15H16N6O2S/c1-6-10(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;1-6-9(15(16,17)18)3-2-7(11(6)13-23-25-26-24-13)8-4-20-5-10-12(8)22-14(19)21-10;1-6-9(15(16,17)18)3-2-7(10(6)12-23-25-26-24-12)8-4-5-20-13-11(8)21-14(19)22-13;1-9-10(6-7-13(16)17-9)8-11-4-3-5-12(24(2,22)23)14(11)15-18-20-21-19-15/h2-5H,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);2-5H,1H3,(H3,19,21,22)(H,23,24,25,26);2-5H,1H3,(H3,19,20,21,22)(H,23,24,25,26);3-7H,8H2,1-2H3,(H2,16,17)(H,18,19,20,21)
• InChIKey: GCRPDWFTTIEPKE-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 832.04 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 40
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2627.29
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	40

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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 158216281) is 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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.Cc1c(C(F)(F)F)ccc(-c2ccnc3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cncc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1nc(N)ccc1Cc1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.

What is the InChIKey of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The InChIKey is GCRPDWFTTIEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N7.C17H11F3N8.C17H14F3N7.C16H11F4N7.2C15H11F3N8.C15H16N6O2S/c1-6-10(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;1-6-9(15(16,17)18)3-2-7(11(6)13-23-25-26-24-13)8-4-20-5-10-12(8)22-14(19)21-10;1-6-9(15(16,17)18)3-2-7(10(6)12-23-25-26-24-12)8-4-5-20-13-11(8)21-14(19)22-13;1-9-10(6-7-13(16)17-9)8-11-4-3-5-12(24(2,22)23)14(11)15-18-20-21-19-15/h2-5H,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);2-5H,1H3,(H3,19,21,22)(H,23,24,25,26);2-5H,1H3,(H3,19,20,21,22)(H,23,24,25,26);3-7H,8H2,1-2H3,(H2,16,17)(H,18,19,20,21).

What are the key properties of 2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 2627.29 g/mol, XLogP of 21.19, 16 rotatable bonds, 20 hydrogen bond donors, and 40 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;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 158216281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).