1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole

C177H261N19OS2 — CID 159839406

IUPAC1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc2c(c1)CCCN2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C15H19N.C15H23N.2C13H18N2.C13H17NO.C12H18.3C11H17N.3C10H16N2.2C9H15NS/c2*1-10(2)13-6-5-12-7-8-14(11(3)4)16-15(12)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-11H,1-4H3;7-8,10-12H,5-6,9H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyNOMJDWJZDZGFOK-UHFFFAOYSA-N
MW2735.30 g/mol
LogP53.36
Rot. Bonds30

About 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole

1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 159839406) has the molecular formula C177H261N19OS2 and a molecular weight of 2735.30 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID159839406
Molecular FormulaC177H261N19OS2
Molecular Weight2735.30 g/mol
Exact Mass2733.04
IUPAC Name1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc2c(c1)CCCN2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C15H19N.C15H23N.2C13H18N2.C13H17NO.C12H18.3C11H17N.3C10H16N2.2C9H15NS/c2*1-10(2)13-6-5-12-7-8-14(11(3)4)16-15(12)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-11H,1-4H3;7-8,10-12H,5-6,9H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyNOMJDWJZDZGFOK-UHFFFAOYSA-N
XLogP53.36
TPSA232.48 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.30
LogP ≤ 553.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
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
1-[4-(6,7-Dimethyl-2-piperidin-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;methane;1-[1-methyl-4-[7-methyl-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(1,3-thiazol-4-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 159032439
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 159124080
4,5-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,6-dimethylquinoxaline;3-ethynylbenzene-5-ide-1-carbonitrile;methane;10-methylacridin-9-one;2-methyl-6H-1,3-benzothiazol-6-ide;4-methyl-[1]benzothiolo[2,3-b]pyridine;2-methyl-5H-1-benzothiophen-5-ide;2-methyl-6H-1,3-benzoxazol-6-ide;6-methyl-4-phenyl-2H-pyridin-2-ide;9-methylpyrido[2,3-b]indole;2-methyl-6H-quinazolin-6-ide;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-phenyl-2,6-dihydropyridine-2,6-diide;6-phenyl-3H-pyridin-3-ide;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;tungsten
CID 159364846

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 159839406) is 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc2c(c1)CCCN2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is NOMJDWJZDZGFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19N.C15H23N.2C13H18N2.C13H17NO.C12H18.3C11H17N.3C10H16N2.2C9H15NS/c2*1-10(2)13-6-5-12-7-8-14(11(3)4)16-15(12)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-11H,1-4H3;7-8,10-12H,5-6,9H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole?
1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 2735.30 g/mol, XLogP of 53.36, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;2,6-di(propan-2-yl)-1,3-benzoxazole;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine;bis(2,7-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 159839406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).