1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline

C224H251N27O4S4 — CID 159430033

IUPAC1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline
SMILESCC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccsc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.CC(C)c1ncc2ccccc2n1.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21
InChIInChI=1S/7C11H12N2.3C11H13N.2C11H12O.2C11H12S.3C10H12N2.2C10H11NO.2C10H11NS/c1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;2*1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h7*3-8H,1-2H3;2*3-8,12H,1-2H3;3-9H,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyLQWDMDMJYACOOV-UHFFFAOYSA-N
MW3513.92 g/mol
LogP64.97
Rot. Bonds21

About 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline

1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline (PubChem CID 159430033) has the molecular formula C224H251N27O4S4 and a molecular weight of 3513.92 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline
PubChem CID159430033
Molecular FormulaC224H251N27O4S4
Molecular Weight3513.92 g/mol
Exact Mass3510.92
IUPAC Name1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline
SMILESCC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccsc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.CC(C)c1ncc2ccccc2n1.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21
InChIInChI=1S/7C11H12N2.3C11H13N.2C11H12O.2C11H12S.3C10H12N2.2C10H11NO.2C10H11NS/c1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;2*1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h7*3-8H,1-2H3;2*3-8,12H,1-2H3;3-9H,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyLQWDMDMJYACOOV-UHFFFAOYSA-N
XLogP64.97
TPSA396.27 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003513.92
LogP ≤ 564.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
CID 160156765
CID 160156765
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline?
The IUPAC name of 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline (CID 159430033) is 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline?
The canonical SMILES for 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline is CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccsc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.CC(C)c1ncc2ccccc2n1.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline?
The InChIKey is LQWDMDMJYACOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/7C11H12N2.3C11H13N.2C11H12O.2C11H12S.3C10H12N2.2C10H11NO.2C10H11NS/c1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;2*1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h7*3-8H,1-2H3;2*3-8,12H,1-2H3;3-9H,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline?
1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline has a molecular weight of 3513.92 g/mol, XLogP of 64.97, 21 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylquinazoline;bis(4-propan-2-ylquinazoline);5-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;8-propan-2-ylquinazoline is sourced from PubChem (CID 159430033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).