5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline

C226H267ClFN37O3 — CID 167681524

IUPAC5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline
SMILESCC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2ncc(N3CCCCC3)cc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnc2cc(C(C)C)ccc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12
InChIInChI=1S/C17H22N2.C13H16N2O2.2C13H15N.C12H13NO.2C12H13N.3C11H14N2.C11H12N2.C11H13N.C10H11ClN2.C10H11FN2.C10H13N3.C10H11N3.3C10H12N2.C9H11N3/c1-13(2)14-6-7-17-15(10-14)11-16(12-18-17)19-8-4-3-5-9-19;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)11-4-5-12-6-10(3)8-14-13(12)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h6-7,10-13H,3-5,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;3*4-8H,1-3H3;3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyVPOWZYJCXBYOSH-UHFFFAOYSA-N
MW3604.33 g/mol
LogP50.77
Rot. Bonds23

About 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline

5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline (PubChem CID 167681524) has the molecular formula C226H267ClFN37O3 and a molecular weight of 3604.33 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline.

Molecular Properties

Compound Name5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline
PubChem CID167681524
Molecular FormulaC226H267ClFN37O3
Molecular Weight3604.33 g/mol
Exact Mass3601.16
IUPAC Name5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline
SMILESCC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2ncc(N3CCCCC3)cc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnc2cc(C(C)C)ccc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12
InChIInChI=1S/C17H22N2.C13H16N2O2.2C13H15N.C12H13NO.2C12H13N.3C11H14N2.C11H12N2.C11H13N.C10H11ClN2.C10H11FN2.C10H13N3.C10H11N3.3C10H12N2.C9H11N3/c1-13(2)14-6-7-17-15(10-14)11-16(12-18-17)19-8-4-3-5-9-19;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)11-4-5-12-6-10(3)8-14-13(12)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h6-7,10-13H,3-5,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;3*4-8H,1-3H3;3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyVPOWZYJCXBYOSH-UHFFFAOYSA-N
XLogP50.77
TPSA436.60 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003604.33
LogP ≤ 550.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline with MolForge

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Related Compounds

Ethyl 7-acetyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 7-(4-chlorophenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,7-diphenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-methyl-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 7-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-phenylimidazo[2,1-a]isoquinoline-3-carboxylate;ethyl 2-phenylimidazo[1,2-a]quinoline-1-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate;2,2,2-trifluoroethyl 7-(4-chlorophenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2,7-diphenylimidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 7-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 160542613
2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine
CID 157055456
CID 157285446
CID 157285446
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157332103
CID 157454110
CID 157454110
2-(4-Tert-butylphenyl)-5-[4-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[4-(2,5-diphenylimidazol-1-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine;3,4-diphenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]imidazo[4,5-c][1,5]naphthyridine;2-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
CID 157591305
1-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-2-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]ethanone;3-methyl-6-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one;6-[2-[4-[5-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-indene-1-carbonyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one;6-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 158135768
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole;1-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole
CID 158253026
N-ethyl-2-methanimidoyl-4-[2-(3-methylphenyl)-3-pyridinyl]aniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole;1-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole
CID 158338355
N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate
CID 158424587
ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158618825
3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 158694438

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline?
The IUPAC name of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline (CID 167681524) is 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline.
What is the SMILES notation for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline?
The canonical SMILES for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline is CC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2ncc(N3CCCCC3)cc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccn2nccc2c1.CC(C)c1cnc2ncccc2n1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnc2cc(C(C)C)ccc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12.
What is the InChIKey of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline?
The InChIKey is VPOWZYJCXBYOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C13H16N2O2.2C13H15N.C12H13NO.2C12H13N.3C11H14N2.C11H12N2.C11H13N.C10H11ClN2.C10H11FN2.C10H13N3.C10H11N3.3C10H12N2.C9H11N3/c1-13(2)14-6-7-17-15(10-14)11-16(12-18-17)19-8-4-3-5-9-19;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)11-4-5-12-6-10(3)8-14-13(12)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h6-7,10-13H,3-5,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;3*4-8H,1-3H3;3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline?
5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline has a molecular weight of 3604.33 g/mol, XLogP of 50.77, 23 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-6-propan-2-yl-2H-benzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);3-methyl-6-propan-2-ylquinoline;3-methyl-7-propan-2-ylquinoline;1-oxido-6-propan-2-ylquinolin-1-ium;3-piperidin-1-yl-6-propan-2-ylquinoline;5-propan-2-yl-2H-benzimidazole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;7-propan-2-ylisoquinoline;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylquinoline is sourced from PubChem (CID 167681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).