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

C244H330F2N22O6S5 — CID 159019858

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;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
SMILESCC(C)C1CCOCC1.CC(C)c1ccc2c(c1)CCCC2.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)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.C8H11N.C8H16O.2C7H10N2.2C7H10S.2C6H9NS/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;1-10(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;1-8(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;1-8(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;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;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/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;7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyJTNYJHFEAQDGKW-UHFFFAOYSA-N
MW3865.80 g/mol
LogP64.80
Rot. Bonds29

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;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

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 (PubChem CID 159019858) has the molecular formula C244H330F2N22O6S5 and a molecular weight of 3865.80 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;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.

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;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
PubChem CID159019858
Molecular FormulaC244H330F2N22O6S5
Molecular Weight3865.80 g/mol
Exact Mass3862.48
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;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
SMILESCC(C)C1CCOCC1.CC(C)c1ccc2c(c1)CCCC2.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)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.C8H11N.C8H16O.2C7H10N2.2C7H10S.2C6H9NS/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;1-10(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;1-8(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;1-8(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;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;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/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;7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyJTNYJHFEAQDGKW-UHFFFAOYSA-N
XLogP64.80
TPSA300.49 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms279
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003865.80
LogP ≤ 564.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

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;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 with MolForge

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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;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?
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;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) 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;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.
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;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?
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;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 is CC(C)C1CCOCC1.CC(C)c1ccc2c(c1)CCCC2.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)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.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;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?
The InChIKey is JTNYJHFEAQDGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C10H12N2.C10H11NS.C8H11N.C8H16O.2C7H10N2.2C7H10S.2C6H9NS/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;1-10(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;1-8(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;1-8(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;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;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/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;7-10H,3-6H2,1-2H3;4-7H,1-3H3,(H,15,16);2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2*3-5H,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;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?
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 has a molecular weight of 3865.80 g/mol, XLogP of 64.80, 29 rotatable bonds, 2 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 159019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).