2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C211H243N25O10S3 — CID 158672075

IUPAC2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCC(C)C1=CC2=C(CC(=O)NC2=O)C1.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2ccccn2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2cccnc2n1.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nc2ccccc2s1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21
InChIInChI=1S/C13H16N2.C12H12N4O.C12H12O2.C12H14.C11H13NO2.C11H11NO2.C11H13NO.2C11H13N.2C11H12O.2C11H12S.C10H12N2.C10H11NS.3C9H11N3.2C8H11N/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-3-8-5-10(13)12-11(14)9(8)4-7;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);3,5-7H,4H2,1-2H3;3-7,9H,8H2,1-2H3;4,6H,3,5H2,1-2H3,(H,12,13,14);3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;5*3-8H,1-2H3;4*3-7H,1-2H3;2*3-7H,1-2H3
InChIKeyIEBMGHMDKPATIM-UHFFFAOYSA-N
MW3385.63 g/mol
LogP52.62
Rot. Bonds20

About 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 158672075) has the molecular formula C211H243N25O10S3 and a molecular weight of 3385.63 g/mol. Its IUPAC name is 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID158672075
Molecular FormulaC211H243N25O10S3
Molecular Weight3385.63 g/mol
Exact Mass3382.84
IUPAC Name2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCC(C)C1=CC2=C(CC(=O)NC2=O)C1.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2ccccn2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2cccnc2n1.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nc2ccccc2s1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21
InChIInChI=1S/C13H16N2.C12H12N4O.C12H12O2.C12H14.C11H13NO2.C11H11NO2.C11H13NO.2C11H13N.2C11H12O.2C11H12S.C10H12N2.C10H11NS.3C9H11N3.2C8H11N/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-3-8-5-10(13)12-11(14)9(8)4-7;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);3,5-7H,4H2,1-2H3;3-7,9H,8H2,1-2H3;4,6H,3,5H2,1-2H3,(H,12,13,14);3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;5*3-8H,1-2H3;4*3-7H,1-2H3;2*3-7H,1-2H3
InChIKeyIEBMGHMDKPATIM-UHFFFAOYSA-N
XLogP52.62
TPSA420.36 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003385.63
LogP ≤ 552.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one 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

3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;bis(3,4-dimethylpyridine);2,4-dimethylpyrimidine;ethane;9-ethylcarbazole;4-ethylpiperidine;9H-fluorene;1H-indene;isoquinoline;2-methoxy-4-methylpyridine;9-methylacridine;bis(5-methyl-1H-imidazole);2-methyl-1H-indene;2-methyl-1,3-oxazole;5-methyl-1,10-phenanthroline;4-methylpiperidine;2-methylpyrazine;4-methylpyridine;3-methyl-1H-pyrrole;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;4-methyl-2-(trifluoromethyl)pyridine;7H-purine;pyrazine;1H-pyrazolo[3,4-d]pyrimidine;pyrimidine;1H-pyrimidin-6-one;quinoline;quinoxaline;2,4,6-trimethylpyridine
CID 161592453
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltetrazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300075
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylpyridin-2-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164971931
5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
CID 165043559
3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165108476
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
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
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;isoquinoline;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157087052
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 158672075) is 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CC(C)C1=CC2=C(CC(=O)NC2=O)C1.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2ccccn2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2cccnc2n1.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nc2ccccc2s1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.
What is the InChIKey of 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is IEBMGHMDKPATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H12N4O.C12H12O2.C12H14.C11H13NO2.C11H11NO2.C11H13NO.2C11H13N.2C11H12O.2C11H12S.C10H12N2.C10H11NS.3C9H11N3.2C8H11N/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-3-8-5-10(13)12-11(14)9(8)4-7;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);3,5-7H,4H2,1-2H3;3-7,9H,8H2,1-2H3;4,6H,3,5H2,1-2H3,(H,12,13,14);3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;5*3-8H,1-2H3;4*3-7H,1-2H3;2*3-7H,1-2H3.
What are the key properties of 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 3385.63 g/mol, XLogP of 52.62, 20 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;6-propan-2-yl-4,5-dihydrocyclopenta[c]pyridine-1,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 158672075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).