2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

C237H349F5N62O17S2 — CID 159877622

IUPAC2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1C(=O)CCC1=O.CC(C)N1C(=O)CN(C)C1=O.CC(C)N1C(=O)CN(c2ccccc2)C1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCN(c2ccccc2)C1=O.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1C(C)(F)F.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2cccnc21.CC(C)n1nccc1C#N.CCN(C(C)=O)C(C)C.COc1cc2ncn(C(C)C)c2cc1OC.COc1ccc2c(c1)ncn2C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nccn1C(C)C.Cc1nnc(C)n1C(C)C
InChIInChI=1S/C12H16N2O2.C12H14N2O2.C12H16N2O.C11H14N2O.C11H14N2.C11H13N.3C10H12N2.C10H15NO2S.2C9H11N3.C8H12F2N2.C8H10N4.C7H9F3N2.C7H13N3.C7H9N3.C7H12N2O2.C7H14N2O.C7H12N2.C7H11NO2.C7H13NO.C7H15NO.2C6H10N2.2C5H9N3.C5H13NO2S.C4H8N4/c1-8(2)14-7-13-9-5-11(15-3)12(16-4)6-10(9)14;1-9(2)14-11(15)8-13(12(14)16)10-6-4-3-5-7-10;1-10(2)13-8-9-14(12(13)15)11-6-4-3-5-7-11;1-8(2)13-7-12-10-6-9(14-3)4-5-11(10)13;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-7(2)12-9-8(6-11-12)4-3-5-10-9;1-6(2)12-5-4-11-7(12)8(3,9)10;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)10-6(3)8-9-7(10)4;1-6(2)10-7(5-8)3-4-9-10;1-5(2)9-6(10)4-8(3)7(9)11;1-6(2)9-5-4-8(3)7(9)10;1-6(2)9-5-4-8-7(9)3;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-5-3-4-7(8)9;1-5-8(6(2)3)7(4)9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)6(3)9(4,7)8;1-4(2)8-3-5-6-7-8/h5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;4-9H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5H,1-4H3;3-4,6H,1-2H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;2*3-6H,1-2H3;2*3-5H,1-2H3;5H,1-4H3;3-4H,1-2H3
InChIKeyNTCORFOAKRDOMQ-UHFFFAOYSA-N
MW4497.94 g/mol
LogP49.31
Rot. Bonds39

About 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (PubChem CID 159877622) has the molecular formula C237H349F5N62O17S2 and a molecular weight of 4497.94 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
PubChem CID159877622
Molecular FormulaC237H349F5N62O17S2
Molecular Weight4497.94 g/mol
Exact Mass4494.77
IUPAC Name2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1C(=O)CCC1=O.CC(C)N1C(=O)CN(C)C1=O.CC(C)N1C(=O)CN(c2ccccc2)C1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCN(c2ccccc2)C1=O.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1C(C)(F)F.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2cccnc21.CC(C)n1nccc1C#N.CCN(C(C)=O)C(C)C.COc1cc2ncn(C(C)C)c2cc1OC.COc1ccc2c(c1)ncn2C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nccn1C(C)C.Cc1nnc(C)n1C(C)C
InChIInChI=1S/C12H16N2O2.C12H14N2O2.C12H16N2O.C11H14N2O.C11H14N2.C11H13N.3C10H12N2.C10H15NO2S.2C9H11N3.C8H12F2N2.C8H10N4.C7H9F3N2.C7H13N3.C7H9N3.C7H12N2O2.C7H14N2O.C7H12N2.C7H11NO2.C7H13NO.C7H15NO.2C6H10N2.2C5H9N3.C5H13NO2S.C4H8N4/c1-8(2)14-7-13-9-5-11(15-3)12(16-4)6-10(9)14;1-9(2)14-11(15)8-13(12(14)16)10-6-4-3-5-7-10;1-10(2)13-8-9-14(12(13)15)11-6-4-3-5-7-11;1-8(2)13-7-12-10-6-9(14-3)4-5-11(10)13;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-7(2)12-9-8(6-11-12)4-3-5-10-9;1-6(2)12-5-4-11-7(12)8(3,9)10;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)10-6(3)8-9-7(10)4;1-6(2)10-7(5-8)3-4-9-10;1-5(2)9-6(10)4-8(3)7(9)11;1-6(2)9-5-4-8(3)7(9)10;1-6(2)9-5-4-8-7(9)3;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-5-3-4-7(8)9;1-5-8(6(2)3)7(4)9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)6(3)9(4,7)8;1-4(2)8-3-5-6-7-8/h5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;4-9H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5H,1-4H3;3-4,6H,1-2H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;2*3-6H,1-2H3;2*3-5H,1-2H3;5H,1-4H3;3-4H,1-2H3
InChIKeyNTCORFOAKRDOMQ-UHFFFAOYSA-N
XLogP49.31
TPSA792.10 Ų
H-Bond Donors
H-Bond Acceptors66
Rotatable Bonds39
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004497.94
LogP ≤ 549.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1066

Analyze 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole with MolForge

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What is the IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (CID 159877622) is 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is CC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1C(=O)CCC1=O.CC(C)N1C(=O)CN(C)C1=O.CC(C)N1C(=O)CN(c2ccccc2)C1=O.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCN(c2ccccc2)C1=O.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1C(C)(F)F.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2cccnc21.CC(C)n1nccc1C#N.CCN(C(C)=O)C(C)C.COc1cc2ncn(C(C)C)c2cc1OC.COc1ccc2c(c1)ncn2C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nccn1C(C)C.Cc1nnc(C)n1C(C)C.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The InChIKey is NTCORFOAKRDOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C12H14N2O2.C12H16N2O.C11H14N2O.C11H14N2.C11H13N.3C10H12N2.C10H15NO2S.2C9H11N3.C8H12F2N2.C8H10N4.C7H9F3N2.C7H13N3.C7H9N3.C7H12N2O2.C7H14N2O.C7H12N2.C7H11NO2.C7H13NO.C7H15NO.2C6H10N2.2C5H9N3.C5H13NO2S.C4H8N4/c1-8(2)14-7-13-9-5-11(15-3)12(16-4)6-10(9)14;1-9(2)14-11(15)8-13(12(14)16)10-6-4-3-5-7-10;1-10(2)13-8-9-14(12(13)15)11-6-4-3-5-7-11;1-8(2)13-7-12-10-6-9(14-3)4-5-11(10)13;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-7(2)12-9-8(6-11-12)4-3-5-10-9;1-6(2)12-5-4-11-7(12)8(3,9)10;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)10-6(3)8-9-7(10)4;1-6(2)10-7(5-8)3-4-9-10;1-5(2)9-6(10)4-8(3)7(9)11;1-6(2)9-5-4-8(3)7(9)10;1-6(2)9-5-4-8-7(9)3;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-5-3-4-7(8)9;1-5-8(6(2)3)7(4)9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)6(3)9(4,7)8;1-4(2)8-3-5-6-7-8/h5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;4-9H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5H,1-4H3;3-4,6H,1-2H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6H,5H2,1-4H3;2*3-6H,1-2H3;2*3-5H,1-2H3;5H,1-4H3;3-4H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole has a molecular weight of 4497.94 g/mol, XLogP of 49.31, 39 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159877622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).