1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

C240H382N26O4S3 — CID 158160693

IUPAC1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cn1ccc2ccccc21.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1
InChIInChI=1S/C12H15N.3C11H14N2.C11H15NO.2C10H11NO.2C10H11NS.C9H9N.C8H7N.C8H6O.C8H6S.3C7H6N2.2C6H5N3.6C5H12.3C4H10.18C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;6*1-5(2,3)4;3*1-4(2)3;18*1-2/h4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;4*3-7H,1-2H3;2-7H,1H3;1-7H;5*1-6H;2*1-5H;6*1-4H3;3*4H,1-3H3;18*1-2H3
InChIKeyFWFRXOYOOSNDAT-UHFFFAOYSA-N
MW3792.07 g/mol
LogP76.42
Rot. Bonds9

About 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (PubChem CID 158160693) has the molecular formula C240H382N26O4S3 and a molecular weight of 3792.07 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
PubChem CID158160693
Molecular FormulaC240H382N26O4S3
Molecular Weight3792.07 g/mol
Exact Mass3788.96
IUPAC Name1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cn1ccc2ccccc21.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1
InChIInChI=1S/C12H15N.3C11H14N2.C11H15NO.2C10H11NO.2C10H11NS.C9H9N.C8H7N.C8H6O.C8H6S.3C7H6N2.2C6H5N3.6C5H12.3C4H10.18C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;6*1-5(2,3)4;3*1-4(2)3;18*1-2/h4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;4*3-7H,1-2H3;2-7H,1H3;1-7H;5*1-6H;2*1-5H;6*1-4H3;3*4H,1-3H3;18*1-2H3
InChIKeyFWFRXOYOOSNDAT-UHFFFAOYSA-N
XLogP76.42
TPSA291.30 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds9
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003792.07
LogP ≤ 576.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157666670
CID 157666670
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157959856
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
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
CID 158646509
CID 158646509
2,3,3a,7a-tetrahydro-1H-indene;5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine;4,7-ditert-butyl-1,2-benzothiazole;4,7-ditert-butyl-1,3-benzothiazole;4,7-ditert-butyl-1,2-benzoxazole;4,7-ditert-butyl-1,3-benzoxazole;2,5-ditert-butylbicyclo[4.2.0]octa-1,3,5-triene;4,7-ditert-butyl-3,3-difluoro-2H-1-benzofuran;4,7-ditert-butyl-2,3-dihydro-1-benzofuran;4,7-ditert-butyl-1,1-dimethyl-2,3-dihydro-1-benzosilole;4,7-ditert-butyl-1-methylbenzimidazole;4,7-ditert-butyl-1-methylbenzotriazole;ethane;methane;decakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 159577608
CID 159771776
CID 159771776
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (CID 158160693) is 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.Cn1ccc2ccccc21.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cn2ccnc2cn1.c1cnc2cccn2c1.c1cnc2nccn2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The InChIKey is FWFRXOYOOSNDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.3C11H14N2.C11H15NO.2C10H11NO.2C10H11NS.C9H9N.C8H7N.C8H6O.C8H6S.3C7H6N2.2C6H5N3.6C5H12.3C4H10.18C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;6*1-5(2,3)4;3*1-4(2)3;18*1-2/h4-9H,1-3H3;3*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;4*3-7H,1-2H3;2-7H,1H3;1-7H;5*1-6H;2*1-5H;6*1-4H3;3*4H,1-3H3;18*1-2H3.
What are the key properties of 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine has a molecular weight of 3792.07 g/mol, XLogP of 76.42, 9 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;hexakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;indolizine;1-methylindole;tris(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 158160693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).