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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C201H264F2N16O5S3 — CID 157331405

IUPAC2-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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN(C1CCC1)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccs1.CC(C)c1ccsc1.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C12H14F2N2.2C12H15NO.C12H15N.C12H17N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.2C7H10S/c1-12(2)15-8-3-5-13-11-17(10-9-16(13)15)14-6-4-7-14;1-11(2)14-8-3-5-12-9-16(10-15(12)14)13-6-4-7-13;1-4-14(16)15-8-11-6-5-7-12(10(2)3)13(11)9-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-7,10H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;5-7,10H,4,8-9H2,1-3H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyBFICWPQWIXUWAN-UHFFFAOYSA-N
MW3118.63 g/mol
LogP51.56
Rot. Bonds23

About 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 157331405) has the molecular formula C201H264F2N16O5S3 and a molecular weight of 3118.63 g/mol. Its IUPAC name is 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID157331405
Molecular FormulaC201H264F2N16O5S3
Molecular Weight3118.63 g/mol
Exact Mass3116.00
IUPAC Name2-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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN(C1CCC1)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccs1.CC(C)c1ccsc1.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C12H14F2N2.2C12H15NO.C12H15N.C12H17N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.2C7H10S/c1-12(2)15-8-3-5-13-11-17(10-9-16(13)15)14-6-4-7-14;1-11(2)14-8-3-5-12-9-16(10-15(12)14)13-6-4-7-13;1-4-14(16)15-8-11-6-5-7-12(10(2)3)13(11)9-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-7,10H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;5-7,10H,4,8-9H2,1-3H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyBFICWPQWIXUWAN-UHFFFAOYSA-N
XLogP51.56
TPSA213.06 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003118.63
LogP ≤ 551.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[1-[[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)indol-4-yl]methyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]indol-2-yl]methanone
CID 137387573
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-[3-(1,1-difluoroethyl)phenyl]-2-propan-2-ylpyridine;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;4-(3-fluorophenyl)-3-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole;4-(2-propan-2-yl-3-pyridinyl)isoquinoline;3-(2-propan-2-yl-3-pyridinyl)quinoline;4-(4-propan-2-ylpyrimidin-5-yl)-1H-benzimidazole;7-(4-propan-2-ylpyrimidin-5-yl)quinoline
CID 157230638
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157627259
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;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;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;4-propan-2-yloxane;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 158491362
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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;4-propan-2-yloxane;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 159019858
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;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 159549598
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;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-methyl-7-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one
CID 159749514
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
CID 161260358
CID 161260358
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;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;1-(4-propan-2-yl-1,3-dihydroindazol-2-yl)propan-1-one;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yloxane;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 167612073

Frequently Asked Questions

What is the IUPAC name of 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 157331405) is 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]c(C(C)(F)F)nc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN(C1CCC1)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccs1.CC(C)c1ccsc1.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1.
What is the InChIKey of 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is BFICWPQWIXUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C12H14F2N2.2C12H15NO.C12H15N.C12H17N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.2C7H10S/c1-12(2)15-8-3-5-13-11-17(10-9-16(13)15)14-6-4-7-14;1-11(2)14-8-3-5-12-9-16(10-15(12)14)13-6-4-7-13;1-4-14(16)15-8-11-6-5-7-12(10(2)3)13(11)9-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14;1-7(2)8-5-4-6-9-10(8)16-11(15-9)12(3,13)14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-7,10H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;5-7,10H,4,8-9H2,1-3H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3118.63 g/mol, XLogP of 51.56, 23 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 157331405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).