5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C177H211N31O2S6 — CID 157160459

IUPAC5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2=NNCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1
InChIInChI=1S/C11H13N.2C11H14S.5C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H13N3.2C9H11N3.2C9H10N2S/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;2*1-6(2)7-3-4-8-9(5-7)11-12-10-8/h3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAMHSKKMXVAUEMV-UHFFFAOYSA-N
MW2997.25 g/mol
LogP44.42
Rot. Bonds18

About 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157160459) has the molecular formula C177H211N31O2S6 and a molecular weight of 2997.25 g/mol. Its IUPAC name is 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID157160459
Molecular FormulaC177H211N31O2S6
Molecular Weight2997.25 g/mol
Exact Mass2994.57
IUPAC Name5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2=NNCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1
InChIInChI=1S/C11H13N.2C11H14S.5C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H13N3.2C9H11N3.2C9H10N2S/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;2*1-6(2)7-3-4-8-9(5-7)11-12-10-8/h3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAMHSKKMXVAUEMV-UHFFFAOYSA-N
XLogP44.42
TPSA365.26 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds18
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002997.25
LogP ≤ 544.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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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
CID 158717243
CID 158717243
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
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
1-cyclopentyl-3-propan-2-ylbenzene;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;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[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 161044231
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 167657542
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
CID 157061828

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 157160459) is 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)C1=CC2=NNCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccc2nsnc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.
What is the InChIKey of 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AMHSKKMXVAUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.2C11H14S.5C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H13N3.2C9H11N3.2C9H10N2S/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;2*1-6(2)7-3-4-8-9(5-7)11-12-10-8/h3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2997.25 g/mol, XLogP of 44.42, 18 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157160459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).