6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one

C157H186Cl4FN19O13 — CID 159795261

IUPAC6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cc1cc(Cl)cc(C(=O)CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1.Cc1ccc(C(=O)N(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)c2ccc(F)cc2)cc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C[C@H]1c1ccccc1
InChIInChI=1S/C31H51N3O2.C29H29FN4O3.C27H28ClN3O2.C25H29N3O2.C23H26ClN3O2.C22H23Cl2N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-28(35)19-17-24-33-25-22-27(23-26-33)34-30-21-16-15-20-29(30)32-31(34)36;1-20-6-8-21(9-7-20)27(35)33(28(36)22-10-12-23(30)13-11-22)19-18-32-16-14-24(15-17-32)34-26-5-3-2-4-25(26)31-29(34)37;1-18(14-26(32)21-7-6-19-4-2-3-5-20(19)15-21)17-30-12-10-23(11-13-30)31-25-9-8-22(28)16-24(25)29-27(31)33;29-24(21-17-20(21)18-7-2-1-3-8-18)11-6-14-27-15-12-19(13-16-27)28-23-10-5-4-9-22(23)26-25(28)30;1-16-13-17(15-18(24)14-16)22(28)7-4-10-26-11-8-19(9-12-26)27-21-6-3-2-5-20(21)25-23(27)29;23-15-7-8-20-19(14-15)25-22(29)27(20)16-9-12-26(13-10-16)11-3-6-21(28)17-4-1-2-5-18(17)24/h15-16,20-21,27H,2-14,17-19,22-26H2,1H3,(H,32,36);2-13,24H,14-19H2,1H3,(H,31,37);2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);1-5,7-10,19-21H,6,11-17H2,(H,26,30);2-3,5-6,13-15,19H,4,7-12H2,1H3,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;;18-;20-,21?;;/m..10../s1
InChIKeyNJBVUDPLKDFWGT-LQXFPFGKSA-N
MW2708.14 g/mol
LogP31.52
Rot. Bonds50

About 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 159795261) has the molecular formula C157H186Cl4FN19O13 and a molecular weight of 2708.14 g/mol. Its IUPAC name is 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID159795261
Molecular FormulaC157H186Cl4FN19O13
Molecular Weight2708.14 g/mol
Exact Mass2704.32
IUPAC Name6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cc1cc(Cl)cc(C(=O)CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1.Cc1ccc(C(=O)N(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)c2ccc(F)cc2)cc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C[C@H]1c1ccccc1
InChIInChI=1S/C31H51N3O2.C29H29FN4O3.C27H28ClN3O2.C25H29N3O2.C23H26ClN3O2.C22H23Cl2N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-28(35)19-17-24-33-25-22-27(23-26-33)34-30-21-16-15-20-29(30)32-31(34)36;1-20-6-8-21(9-7-20)27(35)33(28(36)22-10-12-23(30)13-11-22)19-18-32-16-14-24(15-17-32)34-26-5-3-2-4-25(26)31-29(34)37;1-18(14-26(32)21-7-6-19-4-2-3-5-20(19)15-21)17-30-12-10-23(11-13-30)31-25-9-8-22(28)16-24(25)29-27(31)33;29-24(21-17-20(21)18-7-2-1-3-8-18)11-6-14-27-15-12-19(13-16-27)28-23-10-5-4-9-22(23)26-25(28)30;1-16-13-17(15-18(24)14-16)22(28)7-4-10-26-11-8-19(9-12-26)27-21-6-3-2-5-20(21)25-23(27)29;23-15-7-8-20-19(14-15)25-22(29)27(20)16-9-12-26(13-10-16)11-3-6-21(28)17-4-1-2-5-18(17)24/h15-16,20-21,27H,2-14,17-19,22-26H2,1H3,(H,32,36);2-13,24H,14-19H2,1H3,(H,31,37);2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);1-5,7-10,19-21H,6,11-17H2,(H,26,30);2-3,5-6,13-15,19H,4,7-12H2,1H3,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;;18-;20-,21?;;/m..10../s1
InChIKeyNJBVUDPLKDFWGT-LQXFPFGKSA-N
XLogP31.52
TPSA368.91 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds50
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002708.14
LogP ≤ 531.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 159795261) is 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCCCCCCCCCCCCCCC(=O)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cc1cc(Cl)cc(C(=O)CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1.Cc1ccc(C(=O)N(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)c2ccc(F)cc2)cc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C[C@H]1c1ccccc1.
What is the InChIKey of 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is NJBVUDPLKDFWGT-LQXFPFGKSA-N. The full InChI is InChI=1S/C31H51N3O2.C29H29FN4O3.C27H28ClN3O2.C25H29N3O2.C23H26ClN3O2.C22H23Cl2N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-28(35)19-17-24-33-25-22-27(23-26-33)34-30-21-16-15-20-29(30)32-31(34)36;1-20-6-8-21(9-7-20)27(35)33(28(36)22-10-12-23(30)13-11-22)19-18-32-16-14-24(15-17-32)34-26-5-3-2-4-25(26)31-29(34)37;1-18(14-26(32)21-7-6-19-4-2-3-5-20(19)15-21)17-30-12-10-23(11-13-30)31-25-9-8-22(28)16-24(25)29-27(31)33;29-24(21-17-20(21)18-7-2-1-3-8-18)11-6-14-27-15-12-19(13-16-27)28-23-10-5-4-9-22(23)26-25(28)30;1-16-13-17(15-18(24)14-16)22(28)7-4-10-26-11-8-19(9-12-26)27-21-6-3-2-5-20(21)25-23(27)29;23-15-7-8-20-19(14-15)25-22(29)27(20)16-9-12-26(13-10-16)11-3-6-21(28)17-4-1-2-5-18(17)24/h15-16,20-21,27H,2-14,17-19,22-26H2,1H3,(H,32,36);2-13,24H,14-19H2,1H3,(H,31,37);2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);1-5,7-10,19-21H,6,11-17H2,(H,26,30);2-3,5-6,13-15,19H,4,7-12H2,1H3,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;;18-;20-,21?;;/m..10../s1.
What are the key properties of 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 2708.14 g/mol, XLogP of 31.52, 50 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[4-(2-chlorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(3-chloro-5-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-(4-oxononadecyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 159795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).