[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C128H125F4N17O13S2 — CID 159601110

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 159601110) has the molecular formula C128H125F4N17O13S2 and a molecular weight of 2249.64 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
• PubChem CID: 159601110
• Molecular Formula: C128H125F4N17O13S2
• Molecular Weight: 2249.64 g/mol
• Exact Mass: 2247.90
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
• SMILES: COc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1OCc1ccc(F)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)ccc1OCc1cccc(F)c1.N#Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(N1CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/2C34H31F2N3O3.C24H23N3O3S.C19H18N4O2S.C17H22N4O2/c1-41-32-20-26(12-13-31(32)42-22-24-7-5-9-28(36)19-24)34(40)38-16-14-25(15-17-38)33-37-29-10-2-3-11-30(29)39(33)21-23-6-4-8-27(35)18-23;1-41-32-20-26(10-15-31(32)42-22-24-8-13-28(36)14-9-24)34(40)38-18-16-25(17-19-38)33-37-29-4-2-3-5-30(29)39(33)21-23-6-11-27(35)12-7-23;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;20-13-14-5-7-16(8-6-14)26(24,25)23-11-9-15(10-12-23)19-21-17-3-1-2-4-18(17)22-19;22-17(21-9-11-23-12-10-21)20-7-5-13(6-8-20)16-18-14-3-1-2-4-15(14)19-16/h2-13,18-20,25H,14-17,21-22H2,1H3;2-15,20,25H,16-19,21-22H2,1H3;1-13,18H,14-17H2,(H,25,26);1-8,15H,9-12H2,(H,21,22);1-4,13H,5-12H2,(H,18,19)
• InChIKey: MLMMYICDFFXXDH-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 339.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.64
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 159601110) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is COc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1OCc1ccc(F)cc1.COc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)ccc1OCc1cccc(F)c1.N#Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(N1CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

The InChIKey is MLMMYICDFFXXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H31F2N3O3.C24H23N3O3S.C19H18N4O2S.C17H22N4O2/c1-41-32-20-26(12-13-31(32)42-22-24-7-5-9-28(36)19-24)34(40)38-16-14-25(15-17-38)33-37-29-10-2-3-11-30(29)39(33)21-23-6-4-8-27(35)18-23;1-41-32-20-26(10-15-31(32)42-22-24-8-13-28(36)14-9-24)34(40)38-18-16-25(17-19-38)33-37-29-4-2-3-5-30(29)39(33)21-23-6-11-27(35)12-7-23;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;20-13-14-5-7-16(8-6-14)26(24,25)23-11-9-15(10-12-23)19-21-17-3-1-2-4-18(17)22-19;22-17(21-9-11-23-12-10-21)20-7-5-13(6-8-20)16-18-14-3-1-2-4-15(14)19-16/h2-13,18-20,25H,14-17,21-22H2,1H3;2-15,20,25H,16-19,21-22H2,1H3;1-13,18H,14-17H2,(H,25,26);1-8,15H,9-12H2,(H,21,22);1-4,13H,5-12H2,(H,18,19).

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 2249.64 g/mol, XLogP of 24.06, 25 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone;4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile;[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 159601110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).