6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one

C175H185BrCl3N23O14 — CID 157218018

IUPAC6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESC[C@H](CC(=O)C1C[C@@H]1c1ccccc1)CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.O=C(C#Cc1ccccc1)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C27H28ClN3O2.C26H30BrN3O2.C26H27N3O2.2C25H26N4O2.C24H25N3O2.C22H23Cl2N3O2/c1-18(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;1-17(13-25(31)22-15-21(22)18-5-3-2-4-6-18)16-29-11-9-20(10-12-29)30-24-8-7-19(27)14-23(24)28-26(30)32;30-25(21-12-11-19-6-1-2-7-20(19)18-21)10-5-15-28-16-13-22(14-17-28)29-24-9-4-3-8-23(24)27-26(29)31;30-24(19-9-10-21-18(17-19)5-3-13-26-21)8-4-14-28-15-11-20(12-16-28)29-23-7-2-1-6-22(23)27-25(29)31;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;28-21(13-12-19-7-2-1-3-8-19)9-6-16-26-17-14-20(15-18-26)27-23-11-5-4-10-22(23)25-24(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/h2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);2-8,14,17,20-22H,9-13,15-16H2,1H3,(H,28,32);1-4,6-9,11-12,18,22H,5,10,13-17H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-8,10-11,20H,6,9,14-18H2,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t18-;17-,21-,22?;;;;;/m11...../s1
InChIKeyASQMYWJYRHGRID-PYJQOPRSSA-N
MW3020.81 g/mol
LogP32.25
Rot. Bonds42

About 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one

6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 157218018) has the molecular formula C175H185BrCl3N23O14 and a molecular weight of 3020.81 g/mol. Its IUPAC name is 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID157218018
Molecular FormulaC175H185BrCl3N23O14
Molecular Weight3020.81 g/mol
Exact Mass3016.27
IUPAC Name6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESC[C@H](CC(=O)C1C[C@@H]1c1ccccc1)CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.O=C(C#Cc1ccccc1)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C27H28ClN3O2.C26H30BrN3O2.C26H27N3O2.2C25H26N4O2.C24H25N3O2.C22H23Cl2N3O2/c1-18(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;1-17(13-25(31)22-15-21(22)18-5-3-2-4-6-18)16-29-11-9-20(10-12-29)30-24-8-7-19(27)14-23(24)28-26(30)32;30-25(21-12-11-19-6-1-2-7-20(19)18-21)10-5-15-28-16-13-22(14-17-28)29-24-9-4-3-8-23(24)27-26(29)31;30-24(19-9-10-21-18(17-19)5-3-13-26-21)8-4-14-28-15-11-20(12-16-28)29-23-7-2-1-6-22(23)27-25(29)31;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;28-21(13-12-19-7-2-1-3-8-19)9-6-16-26-17-14-20(15-18-26)27-23-11-5-4-10-22(23)25-24(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/h2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);2-8,14,17,20-22H,9-13,15-16H2,1H3,(H,28,32);1-4,6-9,11-12,18,22H,5,10,13-17H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-8,10-11,20H,6,9,14-18H2,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t18-;17-,21-,22?;;;;;/m11...../s1
InChIKeyASQMYWJYRHGRID-PYJQOPRSSA-N
XLogP32.25
TPSA432.48 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003020.81
LogP ≤ 532.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 157428788
1-(4-bromophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-fluorophenyl)-8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-naphthalen-2-yl-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-oxo-6-phenylhex-5-ynyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-oxo-4-quinolin-3-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 158049353
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
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 158326682
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-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-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 158368399
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-(2-phenylcyclopropyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one;bis(6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one);3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 158833709
1-(4-bromophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 159943629
1-(4-bromophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-fluorophenyl)-8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 160269518
1-(4-bromophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-bromophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-fluorophenyl)-8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-naphthalen-2-yl-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-oxo-6-phenylhex-5-ynyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;8-(4-oxo-4-quinolin-3-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 160742855
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 161327114
bis(6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one);6-chloro-3-[1-[4-oxo-4-(2-phenylcyclopropyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-fluoro-3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 161347688
1-(4-bromophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(4-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 162071455

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 157218018) is 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one is C[C@H](CC(=O)C1C[C@@H]1c1ccccc1)CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1.C[C@H](CC(=O)c1ccc2ccccc2c1)CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.O=C(C#Cc1ccccc1)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1.
What is the InChIKey of 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ASQMYWJYRHGRID-PYJQOPRSSA-N. The full InChI is InChI=1S/C27H28ClN3O2.C26H30BrN3O2.C26H27N3O2.2C25H26N4O2.C24H25N3O2.C22H23Cl2N3O2/c1-18(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;1-17(13-25(31)22-15-21(22)18-5-3-2-4-6-18)16-29-11-9-20(10-12-29)30-24-8-7-19(27)14-23(24)28-26(30)32;30-25(21-12-11-19-6-1-2-7-20(19)18-21)10-5-15-28-16-13-22(14-17-28)29-24-9-4-3-8-23(24)27-26(29)31;30-24(19-9-10-21-18(17-19)5-3-13-26-21)8-4-14-28-15-11-20(12-16-28)29-23-7-2-1-6-22(23)27-25(29)31;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;28-21(13-12-19-7-2-1-3-8-19)9-6-16-26-17-14-20(15-18-26)27-23-11-5-4-10-22(23)25-24(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/h2-9,15-16,18,23H,10-14,17H2,1H3,(H,29,33);2-8,14,17,20-22H,9-13,15-16H2,1H3,(H,28,32);1-4,6-9,11-12,18,22H,5,10,13-17H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);1-4,6-9,16-17,20H,5,10-15H2,(H,27,31);1-5,7-8,10-11,20H,6,9,14-18H2,(H,25,29);1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,29)/t18-;17-,21-,22?;;;;;/m11...../s1.
What are the key properties of 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 3020.81 g/mol, XLogP of 32.25, 42 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-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-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-3-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 157218018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).