tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)

C242H281N71O43 — CID 159895503

IUPACtert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
SMILESC.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2N)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CN1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.N[C@H]1CC[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C17H24N4O5.C17H22N4O4.2C14H16N4O3.2C13H16N4O2.C13H10N4O2.C13H16N4O2.C13H10N4O2.C13H15N3O2.2C12H14N4O2.C12H8N4O2.C12H14N4O2.C12H8N4O2.2C12H16N4.C11H19NO4.C6H7N3O2.CH4/c1-17(2,3)26-16(23)20-8-6-11(7-9-20)15(22)19-14-10-12(21(24)25)4-5-13(14)18;1-17(2,3)25-16(22)20-8-6-11(7-9-20)15-18-13-5-4-12(21(23)24)10-14(13)19-15;2*1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;1-16-6-4-9(5-7-16)13-14-11-3-2-10(17(18)19)8-12(11)15-13;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;2*14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;13-8-2-1-7(5-8)12-14-10-4-3-9(16(17)18)6-11(10)15-12;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;7-5-2-1-4(9(10)11)3-6(5)8;/h4-5,10-11H,6-9,18H2,1-3H3,(H,19,22);4-5,10-11H,6-9H2,1-3H3,(H,18,19);2*2-3,8,10H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);5-9H,1-4,14H2,(H,15,16);1-7H,14H2,(H,15,16);4-5,7-9H,1-3,6,14H2,(H,15,16);1-7H,14H2,(H,15,16);6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);1-7H,(H,14,15);3-4,6-8H,1-2,5,13H2,(H,14,15);1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);8H,4-7H2,1-3H3,(H,13,14);1-3H,7-8H2;1H4/t;;;;;;;;;;;;;7-,8+;;;;;;/m.............1....../s1
InChIKeyNVHFUCPBCPTABM-KQRLXNBWSA-N
MW4872.36 g/mol
LogP44.24
Rot. Bonds35

About tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)

tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) (PubChem CID 159895503) has the molecular formula C242H281N71O43 and a molecular weight of 4872.36 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine).

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
PubChem CID159895503
Molecular FormulaC242H281N71O43
Molecular Weight4872.36 g/mol
Exact Mass4869.20
IUPAC Nametert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
SMILESC.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2N)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CN1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.N[C@H]1CC[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C17H24N4O5.C17H22N4O4.2C14H16N4O3.2C13H16N4O2.C13H10N4O2.C13H16N4O2.C13H10N4O2.C13H15N3O2.2C12H14N4O2.C12H8N4O2.C12H14N4O2.C12H8N4O2.2C12H16N4.C11H19NO4.C6H7N3O2.CH4/c1-17(2,3)26-16(23)20-8-6-11(7-9-20)15(22)19-14-10-12(21(24)25)4-5-13(14)18;1-17(2,3)25-16(22)20-8-6-11(7-9-20)15-18-13-5-4-12(21(23)24)10-14(13)19-15;2*1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;1-16-6-4-9(5-7-16)13-14-11-3-2-10(17(18)19)8-12(11)15-13;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;2*14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;13-8-2-1-7(5-8)12-14-10-4-3-9(16(17)18)6-11(10)15-12;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;7-5-2-1-4(9(10)11)3-6(5)8;/h4-5,10-11H,6-9,18H2,1-3H3,(H,19,22);4-5,10-11H,6-9H2,1-3H3,(H,18,19);2*2-3,8,10H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);5-9H,1-4,14H2,(H,15,16);1-7H,14H2,(H,15,16);4-5,7-9H,1-3,6,14H2,(H,15,16);1-7H,14H2,(H,15,16);6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);1-7H,(H,14,15);3-4,6-8H,1-2,5,13H2,(H,14,15);1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);8H,4-7H2,1-3H3,(H,13,14);1-3H,7-8H2;1H4/t;;;;;;;;;;;;;7-,8+;;;;;;/m.............1....../s1
InChIKeyNVHFUCPBCPTABM-KQRLXNBWSA-N
XLogP44.24
TPSA1682.10 Ų
H-Bond Donors32
H-Bond Acceptors75
Rotatable Bonds35
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004872.36
LogP ≤ 544.24
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1075

Analyze tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) with MolForge

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Related Compounds

methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[5-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-2-oxopiperazin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(2R)-2-phenyl-1-[(2S)-2-[6-[4-[5-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;4-[5-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one
CID 124034231
N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
CID 158085972
CID 158737138
CID 158737138
ethyl N-[6-[4-(2-acetamidoethyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;bis(ethyl N-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate)
CID 159743695
6-[4-(4-nitrophenyl)piperazin-1-yl]-7H-purine;6-(4-phenylpiperazin-1-yl)-7H-purine;4-(4-phenylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol;3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 160066652
(2R)-2-[(3S,4S)-3-[[4-[2-(1H-benzimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;bis((2R)-2-[(3S,4S)-3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclopentylacetic acid);(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane
CID 160132565
N-ethylacetamide;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-(4-methylimidazol-1-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;bis(ethyl N-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate)
CID 160997750
methane;2-methyl-1-[(2S)-2-[6-[4-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-1-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[4-[4-[5-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]cyclohexyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-pyridinyl]cyclohexyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one;1-[2-[(2S)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazine-2,5-dione
CID 161182635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The IUPAC name of tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) (CID 159895503) is tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine).
What is the SMILES notation for tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The canonical SMILES for tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) is C.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2N)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.CN1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.N[C@H]1CC[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.
What is the InChIKey of tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The InChIKey is NVHFUCPBCPTABM-KQRLXNBWSA-N. The full InChI is InChI=1S/C17H24N4O5.C17H22N4O4.2C14H16N4O3.2C13H16N4O2.C13H10N4O2.C13H16N4O2.C13H10N4O2.C13H15N3O2.2C12H14N4O2.C12H8N4O2.C12H14N4O2.C12H8N4O2.2C12H16N4.C11H19NO4.C6H7N3O2.CH4/c1-17(2,3)26-16(23)20-8-6-11(7-9-20)15(22)19-14-10-12(21(24)25)4-5-13(14)18;1-17(2,3)25-16(22)20-8-6-11(7-9-20)15-18-13-5-4-12(21(23)24)10-14(13)19-15;2*1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;1-16-6-4-9(5-7-16)13-14-11-3-2-10(17(18)19)8-12(11)15-13;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;2*14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;13-8-2-1-7(5-8)12-14-10-4-3-9(16(17)18)6-11(10)15-12;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;7-5-2-1-4(9(10)11)3-6(5)8;/h4-5,10-11H,6-9,18H2,1-3H3,(H,19,22);4-5,10-11H,6-9H2,1-3H3,(H,18,19);2*2-3,8,10H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);5-9H,1-4,14H2,(H,15,16);1-7H,14H2,(H,15,16);4-5,7-9H,1-3,6,14H2,(H,15,16);1-7H,14H2,(H,15,16);6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);1-7H,(H,14,15);3-4,6-8H,1-2,5,13H2,(H,14,15);1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);8H,4-7H2,1-3H3,(H,13,14);1-3H,7-8H2;1H4/t;;;;;;;;;;;;;7-,8+;;;;;;/m.............1....../s1.
What are the key properties of tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) has a molecular weight of 4872.36 g/mol, XLogP of 44.24, 35 rotatable bonds, 32 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) is sourced from PubChem (CID 159895503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).