N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C116H110F3N21O11S — CID 158818296

About N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158818296) has the molecular formula C116H110F3N21O11S and a molecular weight of 2063.35 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158818296
• Molecular Formula: C116H110F3N21O11S
• Molecular Weight: 2063.35 g/mol
• Exact Mass: 2061.84
• IUPAC Name: N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1cc(=O)[nH]cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc2[nH]c(=O)ccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc2c(ccc[n+]2[O-])c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1.Cc1noc(C)c1-c1cc2c(c(=c3c(C)ccc4c3=CC=CN4O)c1)=NC(C1CC1)=N2
• InChI: InChI=1S/C26H24N4O2.2C25H22N4O2.C21H20N4O2.C19H22F3N5O3S/c1-14-7-10-22-19(6-5-11-30(22)31)23(14)20-12-18(24-15(2)28-32-16(24)3)13-21-25(20)29(4)26(27-21)17-8-9-17;1-12-4-8-19-17(7-9-21(30)26-19)22(12)18-10-16(23-13(2)29-31-14(23)3)11-20-24(18)28-25(27-20)15-5-6-15;1-13-6-9-21-18(5-4-10-29(21)30)22(13)19-11-17(23-14(2)28-31-15(23)3)12-20-24(19)27-25(26-20)16-7-8-16;1-10-6-18(26)22-9-16(10)15-7-14(19-11(2)25-27-12(19)3)8-17-20(15)24-21(23-17)13-4-5-13;1-10-16(11(2)30-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)31(28,29)27-13-5-3-4-6-13/h5-7,10-13,17H,8-9H2,1-4H3;4,7-11,15H,5-6H2,1-3H3,(H,26,30)(H,27,28);4-6,9-12,16,30H,7-8H2,1-3H3;6-9,13H,4-5H2,1-3H3,(H,22,26)(H,23,24);7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25)
• InChIKey: WWQGTNFZCDCPHA-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 433.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2063.35
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158818296) is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc(=O)[nH]cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc2[nH]c(=O)ccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccc2c(ccc[n+]2[O-])c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1.Cc1noc(C)c1-c1cc2c(c(=c3c(C)ccc4c3=CC=CN4O)c1)=NC(C1CC1)=N2.

What is the InChIKey of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is WWQGTNFZCDCPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2.2C25H22N4O2.C21H20N4O2.C19H22F3N5O3S/c1-14-7-10-22-19(6-5-11-30(22)31)23(14)20-12-18(24-15(2)28-32-16(24)3)13-21-25(20)29(4)26(27-21)17-8-9-17;1-12-4-8-19-17(7-9-21(30)26-19)22(12)18-10-16(23-13(2)29-31-14(23)3)11-20-24(18)28-25(27-20)15-5-6-15;1-13-6-9-21-18(5-4-10-29(21)30)22(13)19-11-17(23-14(2)28-31-15(23)3)12-20-24(19)27-25(26-20)16-7-8-16;1-10-6-18(26)22-9-16(10)15-7-14(19-11(2)25-27-12(19)3)8-17-20(15)24-21(23-17)13-4-5-13;1-10-16(11(2)30-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)31(28,29)27-13-5-3-4-6-13/h5-7,10-13,17H,8-9H2,1-4H3;4,7-11,15H,5-6H2,1-3H3,(H,26,30)(H,27,28);4-6,9-12,16,30H,7-8H2,1-3H3;6-9,13H,4-5H2,1-3H3,(H,22,26)(H,23,24);7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25).

What are the key properties of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2063.35 g/mol, XLogP of 23.55, 17 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158818296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).