propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one

C206H351N27O11S2 — CID 160586165

IUPACpropane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(NS(C)(=O)=O)nc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C12H15NO.C12H13NO.C11H13NO.C10H12N2O.C10H12N2.C10H11NO2.C10H11NOS.C9H14N2O2S.C8H12N2.2C8H11NO.2C7H11N.5C6H10N2.18C3H8/c2*1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-4-5-9(10-6-8)11-14(3,12)13;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;18*1-3-2/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H2,9,10);2*3-6H,1-2H3,(H,9,10);2*3-6,8H,1-2H3;5*3-5H,1-2H3,(H,7,8);18*3H2,1-2H3
InChIKeyRCKLXAMHIHNMKC-UHFFFAOYSA-N
MW3446.39 g/mol
LogP61.07
Rot. Bonds20

About propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one

propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one (PubChem CID 160586165) has the molecular formula C206H351N27O11S2 and a molecular weight of 3446.39 g/mol. Its IUPAC name is propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Namepropane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one
PubChem CID160586165
Molecular FormulaC206H351N27O11S2
Molecular Weight3446.39 g/mol
Exact Mass3443.72
IUPAC Namepropane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(NS(C)(=O)=O)nc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C12H15NO.C12H13NO.C11H13NO.C10H12N2O.C10H12N2.C10H11NO2.C10H11NOS.C9H14N2O2S.C8H12N2.2C8H11NO.2C7H11N.5C6H10N2.18C3H8/c2*1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-4-5-9(10-6-8)11-14(3,12)13;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;18*1-3-2/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H2,9,10);2*3-6H,1-2H3,(H,9,10);2*3-6,8H,1-2H3;5*3-5H,1-2H3,(H,7,8);18*3H2,1-2H3
InChIKeyRCKLXAMHIHNMKC-UHFFFAOYSA-N
XLogP61.07
TPSA585.92 Ų
H-Bond Donors19
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003446.39
LogP ≤ 561.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1021

Analyze propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one with MolForge

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Related Compounds

CID 160796703
CID 160796703
CID 161147666
CID 161147666
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
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane
CID 157606865
6-amino-3H-1,3-benzothiazol-2-one;6-amino-3H-1,3-benzoxazole-2-thione;6-amino-3H-1,3-benzoxazol-2-one;5-amino-1,3-dihydroindol-2-one;2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;2-(1H-imidazol-5-yl)ethanamine;1H-indazole-3,5-diamine;4-pyrazol-1-ylaniline;2-pyridin-2-ylethanamine;2-pyridin-3-ylethanamine;2-pyridin-4-ylethanamine;4-(thiadiazol-4-yl)aniline;4-(1,2,4-triazol-1-yl)aniline
CID 158040565
2-methyl-5-propan-2-ylpyridine;propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1-benzothiophen-2-one;5-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-naphthalen-2-one;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole
CID 158589189
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;3-amino-1H-indazole-5-carboxylic acid;2H-benzotriazole-5-carboxylic acid;3-(2-hydroxyphenyl)propanoic acid;3-(1H-imidazol-2-yl)benzoic acid;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid;4-(methanesulfonamido)benzoic acid;2-oxo-3H-1,3-benzothiazole-6-carboxylic acid;2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylic acid
CID 159036019
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole
CID 159217477
6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2lambda6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one
CID 159260820
6-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-1H-indole);6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;2-tert-butyl-5-methylsulfonylthiophene;3-(2,2-dimethylpropyl)-5-methylidene-1,4-dihydropyrazole;5-(2,2-dimethylpropyl)-1H-pyrazole;5-(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 159337444
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
6-methyl-1H-benzimidazole;6-methyl-3H-1,3-benzothiazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;(6R)-6-methyl-1,3-diazinane-2,4-dione;5-methyl-1,3-dihydrobenzimidazol-2-one;3-methyl-4,5-dihydro-1H-pyridazin-6-one;5-methyl-1H-imidazole;5-methyl-1H-indazole;4-methylphenol;4-methylpiperidine-2,6-dione;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyridazin-6-one;4-methyl-3H-pyridine-2,6-dione;6-methylpyridin-3-ol;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;5-methyl-1H-pyrimidine-2,4-dione;3-methyl-1H-pyrrole;bis(6-methyl-2H-1,2,4-triazine-3,5-dione);bis(5-methyl-1H-1,2,4-triazol-3-amine);4-methyl-2H-triazole
CID 159675289

Frequently Asked Questions

What is the IUPAC name of propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one (CID 160586165) is propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one is CC(C)c1cc[nH]c(=O)c1.CC(C)c1cc[nH]c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(NS(C)(=O)=O)nc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one?
The InChIKey is RCKLXAMHIHNMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H13NO.C11H13NO.C10H12N2O.C10H12N2.C10H11NO2.C10H11NOS.C9H14N2O2S.C8H12N2.2C8H11NO.2C7H11N.5C6H10N2.18C3H8/c2*1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-4-5-9(10-6-8)11-14(3,12)13;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;18*1-3-2/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H2,9,10);2*3-6H,1-2H3,(H,9,10);2*3-6,8H,1-2H3;5*3-5H,1-2H3,(H,7,8);18*3H2,1-2H3.
What are the key properties of propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one?
propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one has a molecular weight of 3446.39 g/mol, XLogP of 61.07, 20 rotatable bonds, 19 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for propane;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);5-propan-2-ylpyridin-2-amine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;N-(5-propan-2-yl-2-pyridinyl)methanesulfonamide;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;6-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 160586165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).