1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole

C159H190F3N29O2 — CID 160990279

IUPAC1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole
SMILESCC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.CC(C)c1cncc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCN(C)CC2)n1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C
InChIInChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.2C17H18N2.C16H16FN3.2C12H20N4.C12H16N2O.C11H14N2.C11H13N/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-10(2)11-8-13-9-12(14-11)16-6-4-15(3)5-7-16;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;4-5,10H,6-9H2,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3
InChIKeyTUNLFGHFRQNSGG-UHFFFAOYSA-N
MW2596.46 g/mol
LogP35.31
Rot. Bonds23

About 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole

1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole (PubChem CID 160990279) has the molecular formula C159H190F3N29O2 and a molecular weight of 2596.46 g/mol. Its IUPAC name is 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole.

Molecular Properties

Compound Name1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole
PubChem CID160990279
Molecular FormulaC159H190F3N29O2
Molecular Weight2596.46 g/mol
Exact Mass2594.56
IUPAC Name1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole
SMILESCC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.CC(C)c1cncc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCN(C)CC2)n1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C
InChIInChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.2C17H18N2.C16H16FN3.2C12H20N4.C12H16N2O.C11H14N2.C11H13N/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-10(2)11-8-13-9-12(14-11)16-6-4-15(3)5-7-16;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;4-5,10H,6-9H2,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3
InChIKeyTUNLFGHFRQNSGG-UHFFFAOYSA-N
XLogP35.31
TPSA289.34 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002596.46
LogP ≤ 535.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole with MolForge

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Related Compounds

4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139543538
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
1-[9-[(E)-4-[6-(1-aminoethenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-8-[[4-(trifluoromethyl)phenyl]methoxy]pyrimido[4,5-b]indol-9-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indol-6-yl]ethenamine
CID 156332006
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157121825
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157128795
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 157198497
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523
9-[[4-(3-methoxy-5-methylpyrazol-1-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[(1S)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157339029
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole?
The IUPAC name of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole (CID 160990279) is 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole.
What is the SMILES notation for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole?
The canonical SMILES for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole is CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.CC(C)c1cncc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCN(C)CC2)n1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.
What is the InChIKey of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole?
The InChIKey is TUNLFGHFRQNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.2C17H18N2.C16H16FN3.2C12H20N4.C12H16N2O.C11H14N2.C11H13N/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-10(2)11-8-13-9-12(14-11)16-6-4-15(3)5-7-16;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;4-5,10H,6-9H2,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3.
What are the key properties of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole?
1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole has a molecular weight of 2596.46 g/mol, XLogP of 35.31, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrazine;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;1-methyl-6-propan-2-ylbenzimidazole;5-propan-2-yl-3H-indole is sourced from PubChem (CID 160990279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).