2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C169H181F7N72O12 — CID 159422405

IUPAC2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.COc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.Cc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(N)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncccn4)CC3)nc12
InChIInChI=1S/C18H20N8O2.C18H22N8O.C18H20N6O.2C17H16F3N7O.C17H19N7O2.C16H16FN7O.C16H18N8O.2C16H17N7O/c1-11(27)22-12-9-20-17(21-10-12)25-5-7-26(8-6-25)18-23-14-4-2-3-13(16(19)28)15(14)24-18;1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18;1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18;18-17(19,20)12-8-13(23-9-22-12)26-4-6-27(7-5-26)16-24-11-3-1-2-10(15(21)28)14(11)25-16;18-17(19,20)12-4-5-22-15(24-12)26-6-8-27(9-7-26)16-23-11-3-1-2-10(14(21)28)13(11)25-16;1-26-11-9-19-16(20-10-11)23-5-7-24(8-6-23)17-21-13-4-2-3-12(15(18)25)14(13)22-17;2*17-10-8-19-15(20-9-10)23-4-6-24(7-5-23)16-21-12-3-1-2-11(14(18)25)13(12)22-16;17-14(24)11-3-1-4-12-13(11)21-16(20-12)23-9-7-22(8-10-23)15-18-5-2-6-19-15;17-15(24)11-2-1-3-12-14(11)21-16(20-12)23-8-6-22(7-9-23)13-4-5-18-10-19-13/h2-4,9-10H,5-8H2,1H3,(H2,19,28)(H,22,27)(H,23,24);3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24);2-7H,8-11H2,1H3,(H2,19,25)(H,21,22);1-3,8-9H,4-7H2,(H2,21,28)(H,24,25);1-5H,6-9H2,(H2,21,28)(H,23,25);2-4,9-10H,5-8H2,1H3,(H2,18,25)(H,21,22);1-3,8-9H,4-7H2,(H2,18,25)(H,21,22);1-3,8-9H,4-7,17H2,(H2,18,25)(H,21,22);1-6H,7-10H2,(H2,17,24)(H,20,21);1-5,10H,6-9H2,(H2,17,24)(H,20,21)
InChIKeyLPXURENEJYKNAV-UHFFFAOYSA-N
MW3545.78 g/mol
LogP10.86
Rot. Bonds34

About 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 159422405) has the molecular formula C169H181F7N72O12 and a molecular weight of 3545.78 g/mol. Its IUPAC name is 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID159422405
Molecular FormulaC169H181F7N72O12
Molecular Weight3545.78 g/mol
Exact Mass3543.57
IUPAC Name2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.COc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.Cc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(N)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncccn4)CC3)nc12
InChIInChI=1S/C18H20N8O2.C18H22N8O.C18H20N6O.2C17H16F3N7O.C17H19N7O2.C16H16FN7O.C16H18N8O.2C16H17N7O/c1-11(27)22-12-9-20-17(21-10-12)25-5-7-26(8-6-25)18-23-14-4-2-3-13(16(19)28)15(14)24-18;1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18;1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18;18-17(19,20)12-8-13(23-9-22-12)26-4-6-27(7-5-26)16-24-11-3-1-2-10(15(21)28)14(11)25-16;18-17(19,20)12-4-5-22-15(24-12)26-6-8-27(9-7-26)16-23-11-3-1-2-10(14(21)28)13(11)25-16;1-26-11-9-19-16(20-10-11)23-5-7-24(8-6-23)17-21-13-4-2-3-12(15(18)25)14(13)22-17;2*17-10-8-19-15(20-9-10)23-4-6-24(7-5-23)16-21-12-3-1-2-11(14(18)25)13(12)22-16;17-14(24)11-3-1-4-12-13(11)21-16(20-12)23-9-7-22(8-10-23)15-18-5-2-6-19-15;17-15(24)11-2-1-3-12-14(11)21-16(20-12)23-8-6-22(7-9-23)13-4-5-18-10-19-13/h2-4,9-10H,5-8H2,1H3,(H2,19,28)(H,22,27)(H,23,24);3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24);2-7H,8-11H2,1H3,(H2,19,25)(H,21,22);1-3,8-9H,4-7H2,(H2,21,28)(H,24,25);1-5H,6-9H2,(H2,21,28)(H,23,25);2-4,9-10H,5-8H2,1H3,(H2,18,25)(H,21,22);1-3,8-9H,4-7H2,(H2,18,25)(H,21,22);1-3,8-9H,4-7,17H2,(H2,18,25)(H,21,22);1-6H,7-10H2,(H2,17,24)(H,20,21);1-5,10H,6-9H2,(H2,17,24)(H,20,21)
InChIKeyLPXURENEJYKNAV-UHFFFAOYSA-N
XLogP10.86
TPSA1103.79 Ų
H-Bond Donors23
H-Bond Acceptors63
Rotatable Bonds34
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003545.78
LogP ≤ 510.86
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1063

Analyze 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

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CID 157096621
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
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1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
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4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxy-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[5-ethoxy-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
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2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
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4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
CID 158029926
3-[[2-(cyclohexylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[2-(cyclopentylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[2-(cyclopropylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[2-(pyridin-4-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158209909
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 158311832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 159422405) is 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CC(=O)Nc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.CCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.COc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.Cc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ccncn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(N)cn4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc12.NC(=O)c1cccc2[nH]c(N3CCN(c4ncccn4)CC3)nc12.
What is the InChIKey of 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LPXURENEJYKNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2.C18H22N8O.C18H20N6O.2C17H16F3N7O.C17H19N7O2.C16H16FN7O.C16H18N8O.2C16H17N7O/c1-11(27)22-12-9-20-17(21-10-12)25-5-7-26(8-6-25)18-23-14-4-2-3-13(16(19)28)15(14)24-18;1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18;1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18;18-17(19,20)12-8-13(23-9-22-12)26-4-6-27(7-5-26)16-24-11-3-1-2-10(15(21)28)14(11)25-16;18-17(19,20)12-4-5-22-15(24-12)26-6-8-27(9-7-26)16-23-11-3-1-2-10(14(21)28)13(11)25-16;1-26-11-9-19-16(20-10-11)23-5-7-24(8-6-23)17-21-13-4-2-3-12(15(18)25)14(13)22-17;2*17-10-8-19-15(20-9-10)23-4-6-24(7-5-23)16-21-12-3-1-2-11(14(18)25)13(12)22-16;17-14(24)11-3-1-4-12-13(11)21-16(20-12)23-9-7-22(8-10-23)15-18-5-2-6-19-15;17-15(24)11-2-1-3-12-14(11)21-16(20-12)23-8-6-22(7-9-23)13-4-5-18-10-19-13/h2-4,9-10H,5-8H2,1H3,(H2,19,28)(H,22,27)(H,23,24);3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24);2-7H,8-11H2,1H3,(H2,19,25)(H,21,22);1-3,8-9H,4-7H2,(H2,21,28)(H,24,25);1-5H,6-9H2,(H2,21,28)(H,23,25);2-4,9-10H,5-8H2,1H3,(H2,18,25)(H,21,22);1-3,8-9H,4-7H2,(H2,18,25)(H,21,22);1-3,8-9H,4-7,17H2,(H2,18,25)(H,21,22);1-6H,7-10H2,(H2,17,24)(H,20,21);1-5,10H,6-9H2,(H2,17,24)(H,20,21).
What are the key properties of 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 3545.78 g/mol, XLogP of 10.86, 34 rotatable bonds, 23 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 159422405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).