[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

C177H197N21O17 — CID 157291208

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 157291208) has the molecular formula C177H197N21O17 and a molecular weight of 2890.65 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
• PubChem CID: 157291208
• Molecular Formula: C177H197N21O17
• Molecular Weight: 2890.65 g/mol
• Exact Mass: 2888.52
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
• SMILES: 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(c3nc4ccccc4n3CC3CCCO3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)c1.Cc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.Cc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.c1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
• InChI: InChI=1S/C27H33N3O4.C26H31N3O4.3C26H27N3O.C25H29N3O3.C21H23N3O3/c1-32-22-15-21(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;2*1-19-6-10-22(11-7-19)30-23-12-8-20(9-13-23)18-29-16-14-21(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;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/h3-6,15-17,19-20H,7-14,18H2,1-2H3;3-4,7-8,14-16,18,20H,5-6,9-13,17H2,1-2H3;2*2-13,21H,14-18H2,1H3,(H,27,28);1-13,22H,14-19H2,(H,27,28);3-6,13-15,17-18H,7-12,16H2,1-2H3;3-6,11-14H,7-10H2,1-2H3,(H,22,23)
• InChIKey: BAVAHTQOXSWAHC-UHFFFAOYSA-N
• XLogP: 34.44
• TPSA: 379.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2890.65
LogP ≤ 5	34.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 157291208) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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(c3nc4ccccc4n3CC3CCCO3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)c1.Cc1ccc(Oc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.Cc1ccc(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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?

The InChIKey is BAVAHTQOXSWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4.C26H31N3O4.3C26H27N3O.C25H29N3O3.C21H23N3O3/c1-32-22-15-21(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;2*1-19-6-10-22(11-7-19)30-23-12-8-20(9-13-23)18-29-16-14-21(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;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/h3-6,15-17,19-20H,7-14,18H2,1-2H3;3-4,7-8,14-16,18,20H,5-6,9-13,17H2,1-2H3;2*2-13,21H,14-18H2,1H3,(H,27,28);1-13,22H,14-19H2,(H,27,28);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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)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;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 2890.65 g/mol, XLogP of 34.44, 38 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)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;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 157291208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).