2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C161H164F8N64O13 — CID 160847671

IUPAC2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cccc2[nH]c(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H22FN7O2.C20H23N7O2.C19H21N7O2.C18H17F3N6O.C18H19N7O2.C17H15FN8O.C17H16N8O.C16H15F2N7O.C16H16FN7O/c1-26(2)19(30)12-3-4-16(23-11-12)27-5-7-28(8-6-27)20-24-15-10-13(21)9-14(18(22)29)17(15)25-20;1-25(2)19(29)13-6-7-16(22-12-13)26-8-10-27(11-9-26)20-23-15-5-3-4-14(18(21)28)17(15)24-20;1-21-18(28)12-5-6-15(22-11-12)25-7-9-26(10-8-25)19-23-14-4-2-3-13(17(20)27)16(14)24-19;19-18(20,21)14-10-11(4-5-23-14)26-6-8-27(9-7-26)17-24-13-3-1-2-12(16(22)28)15(13)25-17;19-16(26)11-4-5-14(21-10-11)24-6-8-25(9-7-24)18-22-13-3-1-2-12(17(20)27)15(13)23-18;18-11-5-12(15(20)27)14-13(6-11)23-17(24-14)26-3-1-25(2-4-26)16-21-8-10(7-19)9-22-16;18-8-11-9-20-16(21-10-11)24-4-6-25(7-5-24)17-22-13-3-1-2-12(15(19)26)14(13)23-17;17-9-5-11(14(19)26)13-12(6-9)22-16(23-13)25-3-1-24(2-4-25)15-20-7-10(18)8-21-15;17-10-7-11(15(18)25)14-12(8-10)21-16(22-14)24-5-3-23(4-6-24)13-1-2-19-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,22,29)(H,24,25);3-7,12H,8-11H2,1-2H3,(H2,21,28)(H,23,24);2-6,11H,7-10H2,1H3,(H2,20,27)(H,21,28)(H,23,24);1-5,10H,6-9H2,(H2,22,28)(H,24,25);1-5,10H,6-9H2,(H2,19,26)(H2,20,27)(H,22,23);5-6,8-9H,1-4H2,(H2,20,27)(H,23,24);1-3,9-10H,4-7H2,(H2,19,26)(H,22,23);5-8H,1-4H2,(H2,19,26)(H,22,23);1-2,7-9H,3-6H2,(H2,18,25)(H,21,22)
InChIKeySIVVCKZQEDATET-UHFFFAOYSA-N
MW3355.50 g/mol
LogP9.35
Rot. Bonds31

About 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 160847671) has the molecular formula C161H164F8N64O13 and a molecular weight of 3355.50 g/mol. Its IUPAC name is 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID160847671
Molecular FormulaC161H164F8N64O13
Molecular Weight3355.50 g/mol
Exact Mass3353.40
IUPAC Name2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cccc2[nH]c(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H22FN7O2.C20H23N7O2.C19H21N7O2.C18H17F3N6O.C18H19N7O2.C17H15FN8O.C17H16N8O.C16H15F2N7O.C16H16FN7O/c1-26(2)19(30)12-3-4-16(23-11-12)27-5-7-28(8-6-27)20-24-15-10-13(21)9-14(18(22)29)17(15)25-20;1-25(2)19(29)13-6-7-16(22-12-13)26-8-10-27(11-9-26)20-23-15-5-3-4-14(18(21)28)17(15)24-20;1-21-18(28)12-5-6-15(22-11-12)25-7-9-26(10-8-25)19-23-14-4-2-3-13(17(20)27)16(14)24-19;19-18(20,21)14-10-11(4-5-23-14)26-6-8-27(9-7-26)17-24-13-3-1-2-12(16(22)28)15(13)25-17;19-16(26)11-4-5-14(21-10-11)24-6-8-25(9-7-24)18-22-13-3-1-2-12(17(20)27)15(13)23-18;18-11-5-12(15(20)27)14-13(6-11)23-17(24-14)26-3-1-25(2-4-26)16-21-8-10(7-19)9-22-16;18-8-11-9-20-16(21-10-11)24-4-6-25(7-5-24)17-22-13-3-1-2-12(15(19)26)14(13)23-17;17-9-5-11(14(19)26)13-12(6-9)22-16(23-13)25-3-1-24(2-4-25)15-20-7-10(18)8-21-15;17-10-7-11(15(18)25)14-12(8-10)21-16(22-14)24-5-3-23(4-6-24)13-1-2-19-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,22,29)(H,24,25);3-7,12H,8-11H2,1-2H3,(H2,21,28)(H,23,24);2-6,11H,7-10H2,1H3,(H2,20,27)(H,21,28)(H,23,24);1-5,10H,6-9H2,(H2,22,28)(H,24,25);1-5,10H,6-9H2,(H2,19,26)(H2,20,27)(H,22,23);5-6,8-9H,1-4H2,(H2,20,27)(H,23,24);1-3,9-10H,4-7H2,(H2,19,26)(H,22,23);5-8H,1-4H2,(H2,19,26)(H,22,23);1-2,7-9H,3-6H2,(H2,18,25)(H,21,22)
InChIKeySIVVCKZQEDATET-UHFFFAOYSA-N
XLogP9.35
TPSA1032.21 Ų
H-Bond Donors20
H-Bond Acceptors55
Rotatable Bonds31
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003355.50
LogP ≤ 59.35
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1055

Analyze 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-amino-6-[[(1S)-1-[6-fluoro-7-(morpholine-4-carbonyl)-1-phenylbenzimidazol-2-yl]ethyl]amino]-2-[[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-pyrido[3,2-d]pyrimidin-4-ylamino]pyrimidine-5-carbonitrile
CID 68280016
[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
[2-[4-[4-Fluoro-6-[5-fluoro-2-[[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-methylbenzimidazol-1-yl]pentyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 145006635
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330064
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[3-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 160847671) is 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1.N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.NC(=O)c1cccc2[nH]c(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nc12.
What is the InChIKey of 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is SIVVCKZQEDATET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2.C20H23N7O2.C19H21N7O2.C18H17F3N6O.C18H19N7O2.C17H15FN8O.C17H16N8O.C16H15F2N7O.C16H16FN7O/c1-26(2)19(30)12-3-4-16(23-11-12)27-5-7-28(8-6-27)20-24-15-10-13(21)9-14(18(22)29)17(15)25-20;1-25(2)19(29)13-6-7-16(22-12-13)26-8-10-27(11-9-26)20-23-15-5-3-4-14(18(21)28)17(15)24-20;1-21-18(28)12-5-6-15(22-11-12)25-7-9-26(10-8-25)19-23-14-4-2-3-13(17(20)27)16(14)24-19;19-18(20,21)14-10-11(4-5-23-14)26-6-8-27(9-7-26)17-24-13-3-1-2-12(16(22)28)15(13)25-17;19-16(26)11-4-5-14(21-10-11)24-6-8-25(9-7-24)18-22-13-3-1-2-12(17(20)27)15(13)23-18;18-11-5-12(15(20)27)14-13(6-11)23-17(24-14)26-3-1-25(2-4-26)16-21-8-10(7-19)9-22-16;18-8-11-9-20-16(21-10-11)24-4-6-25(7-5-24)17-22-13-3-1-2-12(15(19)26)14(13)23-17;17-9-5-11(14(19)26)13-12(6-9)22-16(23-13)25-3-1-24(2-4-25)15-20-7-10(18)8-21-15;17-10-7-11(15(18)25)14-12(8-10)21-16(22-14)24-5-3-23(4-6-24)13-1-2-19-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,22,29)(H,24,25);3-7,12H,8-11H2,1-2H3,(H2,21,28)(H,23,24);2-6,11H,7-10H2,1H3,(H2,20,27)(H,21,28)(H,23,24);1-5,10H,6-9H2,(H2,22,28)(H,24,25);1-5,10H,6-9H2,(H2,19,26)(H2,20,27)(H,22,23);5-6,8-9H,1-4H2,(H2,20,27)(H,23,24);1-3,9-10H,4-7H2,(H2,19,26)(H,22,23);5-8H,1-4H2,(H2,19,26)(H,22,23);1-2,7-9H,3-6H2,(H2,18,25)(H,21,22).
What are the key properties of 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 3355.50 g/mol, XLogP of 9.35, 31 rotatable bonds, 20 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-carbamoyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-cyanopyrimidin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 160847671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).