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

C208H266F2N16O6S3 — CID 159549598

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-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
SMILESCC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2sccc2c1.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(=O)CO)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccc2scnc12.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H21N.C13H17NO2.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C11H12S.C10H12N2.2C10H11NS/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;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-9(2)11-5-3-4-10-6-14(7-12(10)11)13(16)8-15;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;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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)8-4-3-5-9-10(8)11-6-12-9/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-6,9,11H,4,7-8,10H2,1-3H3;3-5,9,15H,6-8H2,1-2H3;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;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyMFFLFPGZTMTLEC-UHFFFAOYSA-N
MW3220.72 g/mol
LogP53.08
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-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

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 (PubChem CID 159549598) has the molecular formula C208H266F2N16O6S3 and a molecular weight of 3220.72 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-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.

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-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
PubChem CID159549598
Molecular FormulaC208H266F2N16O6S3
Molecular Weight3220.72 g/mol
Exact Mass3218.01
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-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
SMILESCC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2sccc2c1.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(=O)CO)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccc2scnc12.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
InChIInChI=1S/C16H23N.C15H21N.C14H21N.C13H17NO2.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C11H12S.C10H12N2.2C10H11NS/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;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-9(2)11-5-3-4-10-6-14(7-12(10)11)13(16)8-15;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;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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)8-4-3-5-9-10(8)11-6-12-9/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-6,9,11H,4,7-8,10H2,1-3H3;3-5,9,15H,6-8H2,1-2H3;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;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyMFFLFPGZTMTLEC-UHFFFAOYSA-N
XLogP53.08
TPSA234.15 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms235
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003220.72
LogP ≤ 553.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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?
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-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) 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-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.
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-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?
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-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 is CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2sccc2c1.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(=O)CO)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccc2scnc12.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-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?
The InChIKey is MFFLFPGZTMTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21N.C14H21N.C13H17NO2.C13H19N.C13H18.C12H14F2N2.2C12H15NO.C12H15N.2C12H14O.C11H14N2.C11H12S.C10H12N2.2C10H11NS/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;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-9(2)11-5-3-4-10-6-14(7-12(10)11)13(16)8-15;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;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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)8-4-3-5-9-10(8)11-6-12-9/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-6,9,11H,4,7-8,10H2,1-3H3;3-5,9,15H,6-8H2,1-2H3;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;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,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-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?
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 has a molecular weight of 3220.72 g/mol, XLogP of 53.08, 23 rotatable bonds, 3 hydrogen bond donors, and 20 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-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 is sourced from PubChem (CID 159549598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).