[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

C281H308F2N34O30 — CID 158252738

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.COc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.Fc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.c1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C28H28FN3O3.C27H28N4O3.C27H33N3O4.C26H31N3O4.C26H27N3O2.C26H27N3O.C25H24FN3O.3C25H29N3O3.C21H23N3O3/c1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-32-22-15-21(16-23(17-22)33-2)27(31)29-11-7-20(8-12-29)26-28-24-5-3-4-6-25(24)30(26)18-19-9-13-34-14-10-19;1-31-21-14-19(15-22(16-21)32-2)26(30)28-11-9-18(10-12-28)25-27-23-7-3-4-8-24(23)29(25)17-20-6-5-13-33-20;1-30-21-10-12-23(13-11-21)31-22-8-6-19(7-9-22)18-29-16-14-20(15-17-29)26-27-24-4-2-3-5-25(24)28-26;1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26;26-20-7-11-22(12-8-20)30-21-9-5-18(6-10-21)17-29-15-13-19(14-16-29)25-27-23-3-1-2-4-24(23)28-25;3*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17;1-26-16-11-15(12-17(13-16)27-2)21(25)24-9-7-14(8-10-24)20-22-18-5-3-4-6-19(18)23-20/h3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-6,15-17,19-20H,7-14,18H2,1-2H3;3-4,7-8,14-16,18,20H,5-6,9-13,17H2,1-2H3;2-13,20H,14-18H2,1H3,(H,27,28);1-13,22H,14-19H2,(H,27,28);1-12,19H,13-17H2,(H,27,28);3*3-6,13-15,17-18H,7-12,16H2,1-2H3;3-6,11-14H,7-10H2,1-2H3,(H,22,23)
InChIKeyGGXLCXVIHMKIGO-UHFFFAOYSA-N
MW4679.76 g/mol
LogP52.72
Rot. Bonds63

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 158252738) has the molecular formula C281H308F2N34O30 and a molecular weight of 4679.76 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID158252738
Molecular FormulaC281H308F2N34O30
Molecular Weight4679.76 g/mol
Exact Mass4676.36
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.COc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.Fc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.c1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C28H28FN3O3.C27H28N4O3.C27H33N3O4.C26H31N3O4.C26H27N3O2.C26H27N3O.C25H24FN3O.3C25H29N3O3.C21H23N3O3/c1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-32-22-15-21(16-23(17-22)33-2)27(31)29-11-7-20(8-12-29)26-28-24-5-3-4-6-25(24)30(26)18-19-9-13-34-14-10-19;1-31-21-14-19(15-22(16-21)32-2)26(30)28-11-9-18(10-12-28)25-27-23-7-3-4-8-24(23)29(25)17-20-6-5-13-33-20;1-30-21-10-12-23(13-11-21)31-22-8-6-19(7-9-22)18-29-16-14-20(15-17-29)26-27-24-4-2-3-5-25(24)28-26;1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26;26-20-7-11-22(12-8-20)30-21-9-5-18(6-10-21)17-29-15-13-19(14-16-29)25-27-23-3-1-2-4-24(23)28-25;3*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17;1-26-16-11-15(12-17(13-16)27-2)21(25)24-9-7-14(8-10-24)20-22-18-5-3-4-6-19(18)23-20/h3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-6,15-17,19-20H,7-14,18H2,1-2H3;3-4,7-8,14-16,18,20H,5-6,9-13,17H2,1-2H3;2-13,20H,14-18H2,1H3,(H,27,28);1-13,22H,14-19H2,(H,27,28);1-12,19H,13-17H2,(H,27,28);3*3-6,13-15,17-18H,7-12,16H2,1-2H3;3-6,11-14H,7-10H2,1-2H3,(H,22,23)
InChIKeyGGXLCXVIHMKIGO-UHFFFAOYSA-N
XLogP52.72
TPSA627.61 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds63
Heavy Atoms347
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004679.76
LogP ≤ 552.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 158252738) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.COc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.Fc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.c1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is GGXLCXVIHMKIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3.C27H28N4O3.C27H33N3O4.C26H31N3O4.C26H27N3O2.C26H27N3O.C25H24FN3O.3C25H29N3O3.C21H23N3O3/c1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-32-22-15-21(16-23(17-22)33-2)27(31)29-11-7-20(8-12-29)26-28-24-5-3-4-6-25(24)30(26)18-19-9-13-34-14-10-19;1-31-21-14-19(15-22(16-21)32-2)26(30)28-11-9-18(10-12-28)25-27-23-7-3-4-8-24(23)29(25)17-20-6-5-13-33-20;1-30-21-10-12-23(13-11-21)31-22-8-6-19(7-9-22)18-29-16-14-20(15-17-29)26-27-24-4-2-3-5-25(24)28-26;1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26;26-20-7-11-22(12-8-20)30-21-9-5-18(6-10-21)17-29-15-13-19(14-16-29)25-27-23-3-1-2-4-24(23)28-25;3*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17;1-26-16-11-15(12-17(13-16)27-2)21(25)24-9-7-14(8-10-24)20-22-18-5-3-4-6-19(18)23-20/h3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-6,15-17,19-20H,7-14,18H2,1-2H3;3-4,7-8,14-16,18,20H,5-6,9-13,17H2,1-2H3;2-13,20H,14-18H2,1H3,(H,27,28);1-13,22H,14-19H2,(H,27,28);1-12,19H,13-17H2,(H,27,28);3*3-6,13-15,17-18H,7-12,16H2,1-2H3;3-6,11-14H,7-10H2,1-2H3,(H,22,23).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 4679.76 g/mol, XLogP of 52.72, 63 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 158252738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).