cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C227H308F2N26O6S6 — CID 167657542

IUPACcumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CCOCC1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2cccc12.CC(C)c1cccn2nccc12.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2ccccc12.CC(C)c1cscn1.CC(C)c1ncccn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc(C#N)ccc1C(C)C
InChIInChI=1S/C13H18.C12H14F2N2.C12H15N.C11H17NO.C11H17NS.C11H13N.C11H12S.4C10H12N2.C9H10N2.2C9H13NO.C9H13N.C9H12.C8H11N.C8H16O.C7H10N2.2C7H10S.2C6H9NO.2C6H9NS/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);4-9H,1-3H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4-5,7H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3
InChIKeyRMDPBIRVNGGBPJ-UHFFFAOYSA-N
MW3727.53 g/mol
LogP64.58
Rot. Bonds29

About cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 167657542) has the molecular formula C227H308F2N26O6S6 and a molecular weight of 3727.53 g/mol. Its IUPAC name is cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID167657542
Molecular FormulaC227H308F2N26O6S6
Molecular Weight3727.53 g/mol
Exact Mass3724.29
IUPAC Namecumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CCOCC1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2cccc12.CC(C)c1cccn2nccc12.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2ccccc12.CC(C)c1cscn1.CC(C)c1ncccn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc(C#N)ccc1C(C)C
InChIInChI=1S/C13H18.C12H14F2N2.C12H15N.C11H17NO.C11H17NS.C11H13N.C11H12S.4C10H12N2.C9H10N2.2C9H13NO.C9H13N.C9H12.C8H11N.C8H16O.C7H10N2.2C7H10S.2C6H9NO.2C6H9NS/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);4-9H,1-3H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4-5,7H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3
InChIKeyRMDPBIRVNGGBPJ-UHFFFAOYSA-N
XLogP64.58
TPSA382.77 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003727.53
LogP ≤ 564.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157791472
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158733170
CID 159121451
CID 159121451
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;1-methyl-4-propan-2-ylbenzimidazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159334865
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351

Frequently Asked Questions

What is the IUPAC name of cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 167657542) is cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1CCOCC1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2cccc12.CC(C)c1cccn2nccc12.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2ccccc12.CC(C)c1cscn1.CC(C)c1ncccn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1nc(C#N)ccc1C(C)C.
What is the InChIKey of cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is RMDPBIRVNGGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H14F2N2.C12H15N.C11H17NO.C11H17NS.C11H13N.C11H12S.4C10H12N2.C9H10N2.2C9H13NO.C9H13N.C9H12.C8H11N.C8H16O.C7H10N2.2C7H10S.2C6H9NO.2C6H9NS/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);4-9H,1-3H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;3-9H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4-5,7H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3.
What are the key properties of cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3727.53 g/mol, XLogP of 64.58, 29 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 167657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).