1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

C125H143Cl6N39O9S4 — CID 161114653

IUPAC1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(C)CC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(CCS(C)(=O)=O)c1ncc(Cl)c(-c2nc3ccccc3n2C)n1.Cn1c(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)n2)nc2ccccc21.Cn1c(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCCCC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C20H24ClN7O.C18H21ClN6O2S.C18H20ClN5O2S.C18H20ClN5.C18H22N6O2S.C17H18ClN5.C16H18ClN5O2S/c1-25(2)13-17(29)27-8-10-28(11-9-27)20-22-12-14(21)18(24-20)19-23-15-6-4-5-7-16(15)26(19)3;1-24-15-6-4-3-5-14(15)21-17(24)16-13(19)11-20-18(22-16)25-9-7-12(8-10-25)23-28(2,26)27;1-23-15-6-4-3-5-14(15)21-17(23)16-13(19)11-20-18(22-16)24-9-7-12(8-10-24)27(2,25)26;1-12-7-9-24(10-8-12)18-20-11-13(19)16(22-18)17-21-14-5-3-4-6-15(14)23(17)2;1-23-16-6-4-3-5-14(16)20-17(23)15-7-10-19-18(21-15)24-11-8-13(9-12-24)22-27(2,25)26;1-22-14-8-4-3-7-13(14)20-16(22)15-12(18)11-19-17(21-15)23-9-5-2-6-10-23;1-21(8-9-25(3,23)24)16-18-10-11(17)14(20-16)15-19-12-6-4-5-7-13(12)22(15)2/h4-7,12H,8-11,13H2,1-3H3;3-6,11-12,23H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,10,13,22H,8-9,11-12H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;4-7,10H,8-9H2,1-3H3
InChIKeyUKDPNXZEUDRAFK-UHFFFAOYSA-N
MW2676.77 g/mol
LogP18.10
Rot. Bonds24

About 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 161114653) has the molecular formula C125H143Cl6N39O9S4 and a molecular weight of 2676.77 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID161114653
Molecular FormulaC125H143Cl6N39O9S4
Molecular Weight2676.77 g/mol
Exact Mass2671.89
IUPAC Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(C)CC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(CCS(C)(=O)=O)c1ncc(Cl)c(-c2nc3ccccc3n2C)n1.Cn1c(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)n2)nc2ccccc21.Cn1c(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCCCC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C20H24ClN7O.C18H21ClN6O2S.C18H20ClN5O2S.C18H20ClN5.C18H22N6O2S.C17H18ClN5.C16H18ClN5O2S/c1-25(2)13-17(29)27-8-10-28(11-9-27)20-22-12-14(21)18(24-20)19-23-15-6-4-5-7-16(15)26(19)3;1-24-15-6-4-3-5-14(15)21-17(24)16-13(19)11-20-18(22-16)25-9-7-12(8-10-25)23-28(2,26)27;1-23-15-6-4-3-5-14(15)21-17(23)16-13(19)11-20-18(22-16)24-9-7-12(8-10-24)27(2,25)26;1-12-7-9-24(10-8-12)18-20-11-13(19)16(22-18)17-21-14-5-3-4-6-15(14)23(17)2;1-23-16-6-4-3-5-14(16)20-17(23)15-7-10-19-18(21-15)24-11-8-13(9-12-24)22-27(2,25)26;1-22-14-8-4-3-7-13(14)20-16(22)15-12(18)11-19-17(21-15)23-9-5-2-6-10-23;1-21(8-9-25(3,23)24)16-18-10-11(17)14(20-16)15-19-12-6-4-5-7-13(12)22(15)2/h4-7,12H,8-11,13H2,1-3H3;3-6,11-12,23H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,10,13,22H,8-9,11-12H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;4-7,10H,8-9H2,1-3H3
InChIKeyUKDPNXZEUDRAFK-UHFFFAOYSA-N
XLogP18.10
TPSA512.05 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002676.77
LogP ≤ 518.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Analyze 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157150454
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]ethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxyethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;bis(N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide)
CID 157572116
N-(benzenesulfonyl)-4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylpiperazine-1-sulfonamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylsulfonylpiperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-phenylpiperazine-1-sulfonamide;1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(phenylsulfamoyl)piperidin-4-amine
CID 158021393
N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]acetamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]methanesulfonamide;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylpiperazin-2-one;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 158174585
N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-lambda6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-lambda6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole
CID 158240077
1-[1-[5-[3-(4-Chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
CID 158507772
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 158511235
1-[4-[5-Chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;2-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;1-[4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone;1-[4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate;methyl 4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate;1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
CID 158618514
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxyethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide
CID 158676596
8-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-2-methylidene-1-oxa-3,8-diazaspiro[4.5]decane;2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;N-[ethyl(dihydroxy)-lambda4-sulfanyl]-1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-amine;1-[4-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2-methylpropan-2-ol
CID 159079974
2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-lambda6-sulfane
CID 159092313
2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-lambda6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate
CID 159252064

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (CID 161114653) is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is CC1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(C)CC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CN(CCS(C)(=O)=O)c1ncc(Cl)c(-c2nc3ccccc3n2C)n1.Cn1c(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)n2)nc2ccccc21.Cn1c(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.Cn1c(-c2nc(N3CCCCC3)ncc2Cl)nc2ccccc21.
What is the InChIKey of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is UKDPNXZEUDRAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O.C18H21ClN6O2S.C18H20ClN5O2S.C18H20ClN5.C18H22N6O2S.C17H18ClN5.C16H18ClN5O2S/c1-25(2)13-17(29)27-8-10-28(11-9-27)20-22-12-14(21)18(24-20)19-23-15-6-4-5-7-16(15)26(19)3;1-24-15-6-4-3-5-14(15)21-17(24)16-13(19)11-20-18(22-16)25-9-7-12(8-10-25)23-28(2,26)27;1-23-15-6-4-3-5-14(15)21-17(23)16-13(19)11-20-18(22-16)24-9-7-12(8-10-24)27(2,25)26;1-12-7-9-24(10-8-12)18-20-11-13(19)16(22-18)17-21-14-5-3-4-6-15(14)23(17)2;1-23-16-6-4-3-5-14(16)20-17(23)15-7-10-19-18(21-15)24-11-8-13(9-12-24)22-27(2,25)26;1-22-14-8-4-3-7-13(14)20-16(22)15-12(18)11-19-17(21-15)23-9-5-2-6-10-23;1-21(8-9-25(3,23)24)16-18-10-11(17)14(20-16)15-19-12-6-4-5-7-13(12)22(15)2/h4-7,12H,8-11,13H2,1-3H3;3-6,11-12,23H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,10,13,22H,8-9,11-12H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 2676.77 g/mol, XLogP of 18.10, 24 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 161114653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).