6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one

C128H136Cl2FN17O11 — CID 158315578

IUPAC6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESC[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.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.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C29H29FN4O3.C27H29N3O2.C25H26N4O2.C25H29N3O2.C22H23Cl2N3O2/c1-20-6-8-21(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;1-19(16-26(31)22-11-10-20-6-2-3-7-21(20)17-22)18-29-14-12-23(13-15-29)30-25-9-5-4-8-24(25)28-27(30)32;30-24(19-16-18-6-1-2-7-21(18)26-17-19)10-5-13-28-14-11-20(12-15-28)29-23-9-4-3-8-22(23)27-25(29)31;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;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/h2-13,24H,14-19H2,1H3,(H,31,37);2-11,17,19,23H,12-16,18H2,1H3,(H,28,32);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-10,19-21H,6,11-17H2,(H,26,30);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;19-;;20-,21?;/m.1.0./s1
InChIKeyGOFJFSBSIWKFKW-UWQLDSOZSA-N
MW2178.51 g/mol
LogP22.66
Rot. Bonds31

About 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 158315578) has the molecular formula C128H136Cl2FN17O11 and a molecular weight of 2178.51 g/mol. Its IUPAC name is 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID158315578
Molecular FormulaC128H136Cl2FN17O11
Molecular Weight2178.51 g/mol
Exact Mass2176.00
IUPAC Name6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESC[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.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.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C29H29FN4O3.C27H29N3O2.C25H26N4O2.C25H29N3O2.C22H23Cl2N3O2/c1-20-6-8-21(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;1-19(16-26(31)22-11-10-20-6-2-3-7-21(20)17-22)18-29-14-12-23(13-15-29)30-25-9-5-4-8-24(25)28-27(30)32;30-24(19-16-18-6-1-2-7-21(18)26-17-19)10-5-13-28-14-11-20(12-15-28)29-23-9-4-3-8-22(23)27-25(29)31;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;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/h2-13,24H,14-19H2,1H3,(H,31,37);2-11,17,19,23H,12-16,18H2,1H3,(H,28,32);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-10,19-21H,6,11-17H2,(H,26,30);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;19-;;20-,21?;/m.1.0./s1
InChIKeyGOFJFSBSIWKFKW-UWQLDSOZSA-N
XLogP22.66
TPSA323.70 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.51
LogP ≤ 522.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 158315578) is 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one is C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.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.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1.
What is the InChIKey of 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GOFJFSBSIWKFKW-UWQLDSOZSA-N. The full InChI is InChI=1S/C29H29FN4O3.C27H29N3O2.C25H26N4O2.C25H29N3O2.C22H23Cl2N3O2/c1-20-6-8-21(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;1-19(16-26(31)22-11-10-20-6-2-3-7-21(20)17-22)18-29-14-12-23(13-15-29)30-25-9-5-4-8-24(25)28-27(30)32;30-24(19-16-18-6-1-2-7-21(18)26-17-19)10-5-13-28-14-11-20(12-15-28)29-23-9-4-3-8-22(23)27-25(29)31;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;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/h2-13,24H,14-19H2,1H3,(H,31,37);2-11,17,19,23H,12-16,18H2,1H3,(H,28,32);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-10,19-21H,6,11-17H2,(H,26,30);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t;19-;;20-,21?;/m.1.0./s1.
What are the key properties of 6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-[4-(2-chlorophenyl)-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-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 2178.51 g/mol, XLogP of 22.66, 31 rotatable bonds, 5 hydrogen bond donors, and 22 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;N-(4-fluorobenzoyl)-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-oxo-4-[(2R)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 158315578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).