[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone

C154H147N19O10S — CID 159231957

IUPAC[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCC1(c2nc3ccccc3[nH]2)CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COCCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H29N3O3.2C26H25N3O.C25H23N3O3S.C25H23N3O.C24H22N4O/c1-33-18-19-34-24-12-10-21(11-13-24)20-6-8-23(9-7-20)28(32)31-16-14-22(15-17-31)27-29-25-4-2-3-5-26(25)30-27;1-26(25-27-22-9-5-6-10-23(22)28-25)15-17-29(18-16-26)24(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19;30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25;29-25(19-10-12-21(13-11-19)32(30,31)20-6-2-1-3-7-20)28-16-14-18(15-17-28)24-26-22-8-4-5-9-23(22)27-24;29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24;29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h2-13,22H,14-19H2,1H3,(H,29,30);2-14H,15-18H2,1H3,(H,27,28);1-13,19H,14-18H2,(H,27,28);1-13,18H,14-17H2,(H,26,27);1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27);1-11,14,18H,12-13,15-16H2,(H,26,27)
InChIKeyKTAATGPUPZJRMD-UHFFFAOYSA-N
MW2456.06 g/mol
LogP30.33
Rot. Bonds24

About [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone

[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone (PubChem CID 159231957) has the molecular formula C154H147N19O10S and a molecular weight of 2456.06 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
PubChem CID159231957
Molecular FormulaC154H147N19O10S
Molecular Weight2456.06 g/mol
Exact Mass2454.13
IUPAC Name[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCC1(c2nc3ccccc3[nH]2)CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COCCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H29N3O3.2C26H25N3O.C25H23N3O3S.C25H23N3O.C24H22N4O/c1-33-18-19-34-24-12-10-21(11-13-24)20-6-8-23(9-7-20)28(32)31-16-14-22(15-17-31)27-29-25-4-2-3-5-26(25)30-27;1-26(25-27-22-9-5-6-10-23(22)28-25)15-17-29(18-16-26)24(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19;30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25;29-25(19-10-12-21(13-11-19)32(30,31)20-6-2-1-3-7-20)28-16-14-18(15-17-28)24-26-22-8-4-5-9-23(22)27-24;29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24;29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h2-13,22H,14-19H2,1H3,(H,29,30);2-14H,15-18H2,1H3,(H,27,28);1-13,19H,14-18H2,(H,27,28);1-13,18H,14-17H2,(H,26,27);1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27);1-11,14,18H,12-13,15-16H2,(H,26,27)
InChIKeyKTAATGPUPZJRMD-UHFFFAOYSA-N
XLogP30.33
TPSA359.43 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.06
LogP ≤ 530.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone (CID 159231957) is [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone is CC1(c2nc3ccccc3[nH]2)CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COCCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The InChIKey is KTAATGPUPZJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3.2C26H25N3O.C25H23N3O3S.C25H23N3O.C24H22N4O/c1-33-18-19-34-24-12-10-21(11-13-24)20-6-8-23(9-7-20)28(32)31-16-14-22(15-17-31)27-29-25-4-2-3-5-26(25)30-27;1-26(25-27-22-9-5-6-10-23(22)28-25)15-17-29(18-16-26)24(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19;30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25;29-25(19-10-12-21(13-11-19)32(30,31)20-6-2-1-3-7-20)28-16-14-18(15-17-28)24-26-22-8-4-5-9-23(22)27-24;29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24;29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h2-13,22H,14-19H2,1H3,(H,29,30);2-14H,15-18H2,1H3,(H,27,28);1-13,19H,14-18H2,(H,27,28);1-13,18H,14-17H2,(H,26,27);1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27);1-11,14,18H,12-13,15-16H2,(H,26,27).
What are the key properties of [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone has a molecular weight of 2456.06 g/mol, XLogP of 30.33, 24 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 159231957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).