methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

C236H284N48O20S — CID 157376062

IUPACmethane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESC.C.C.CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2cccnc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1c(=O)sc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/2C14H13NO2.C12H15NO.2C11H14N2O.C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C10H11NOS.2C9H11N3O.3C9H11N3.2C9H10N2O2.C8H10N4O.C8H10N4.3CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;2*1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;1-6(2)12-8-7(11-9(12)13)4-3-5-10-8;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;1-6(2)11-7-4-3-5-10-8(7)13-9(11)12;1-5(2)12-6-3-9-4-10-7(6)11-8(12)13;1-6(2)12-5-11-8-7(12)3-9-4-10-8;;;/h2*3-9H,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);3*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3;3*1H4
InChIKeyBKILPQPSCMERHI-UHFFFAOYSA-N
MW4145.25 g/mol
LogP50.18
Rot. Bonds23

About methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 157376062) has the molecular formula C236H284N48O20S and a molecular weight of 4145.25 g/mol. Its IUPAC name is methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Namemethane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID157376062
Molecular FormulaC236H284N48O20S
Molecular Weight4145.25 g/mol
Exact Mass4142.24
IUPAC Namemethane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESC.C.C.CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2cccnc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1c(=O)sc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/2C14H13NO2.C12H15NO.2C11H14N2O.C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C10H11NOS.2C9H11N3O.3C9H11N3.2C9H10N2O2.C8H10N4O.C8H10N4.3CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;2*1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;1-6(2)12-8-7(11-9(12)13)4-3-5-10-8;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;1-6(2)11-7-4-3-5-10-8(7)13-9(11)12;1-5(2)12-6-3-9-4-10-7(6)11-8(12)13;1-6(2)12-5-11-8-7(12)3-9-4-10-8;;;/h2*3-9H,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);3*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3;3*1H4
InChIKeyBKILPQPSCMERHI-UHFFFAOYSA-N
XLogP50.18
TPSA758.82 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds23
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004145.25
LogP ≤ 550.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Analyze methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
CID 157203568
1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158116166
methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158501044
3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 158559313
1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158876346
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159368556
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159565908
CID 159574234
CID 159574234
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine
CID 159574483
benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline
CID 159711688
benzene;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline
CID 160171528
CID 160304036
CID 160304036

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 157376062) is methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is C.C.C.CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2cccnc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1c(=O)sc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.
What is the InChIKey of methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is BKILPQPSCMERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13NO2.C12H15NO.2C11H14N2O.C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C10H11NOS.2C9H11N3O.3C9H11N3.2C9H10N2O2.C8H10N4O.C8H10N4.3CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;2*1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;1-6(2)12-8-7(11-9(12)13)4-3-5-10-8;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;1-6(2)11-7-4-3-5-10-8(7)13-9(11)12;1-5(2)12-6-3-9-4-10-7(6)11-8(12)13;1-6(2)12-5-11-8-7(12)3-9-4-10-8;;;/h2*3-9H,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);3*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3;3*1H4.
What are the key properties of methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 4145.25 g/mol, XLogP of 50.18, 23 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 157376062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).