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

C175H190Cl3FN22O14 — CID 161347688

IUPACbis(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
SMILESCc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2cc(C(=O)CCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C1CC1c1ccccc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C=Cc2ccccc2C1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C27H29N3O2.C26H26FN3O2.C26H29N3O2.C25H28ClN3O2.C25H26N4O2.2C23H26ClN3O2/c1-19-8-9-21-18-22(11-10-20(21)17-19)26(31)7-4-14-29-15-12-23(13-16-29)30-25-6-3-2-5-24(25)28-27(30)32;27-21-9-10-24-23(17-21)28-26(32)30(24)22-11-14-29(15-12-22)13-3-6-25(31)20-8-7-18-4-1-2-5-19(18)16-20;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;26-18-8-9-23-22(15-18)27-25(31)29(23)19-10-13-28(14-11-19)12-4-7-24(30)21-16-20(21)17-5-2-1-3-6-17;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;2*1-16-4-6-17(7-5-16)22(28)3-2-12-26-13-10-19(11-14-26)27-21-9-8-18(24)15-20(21)25-23(27)29/h2-3,5-6,8-11,17-18,23H,4,7,12-16H2,1H3,(H,28,32);1-2,4-5,7-10,16-17,22H,3,6,11-15H2,(H,28,32);1-4,6-9,11-12,21-22H,5,10,13-18H2,(H,27,31);1-3,5-6,8-9,15,19-21H,4,7,10-14,16H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);2*4-9,15,19H,2-3,10-14H2,1H3,(H,25,29)
InChIKeyVNNGJKWFVQUDTH-UHFFFAOYSA-N
MW2950.94 g/mol
LogP32.35
Rot. Bonds43

About 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

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 (PubChem CID 161347688) has the molecular formula C175H190Cl3FN22O14 and a molecular weight of 2950.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID161347688
Molecular FormulaC175H190Cl3FN22O14
Molecular Weight2950.94 g/mol
Exact Mass2947.39
IUPAC Namebis(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
SMILESCc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2cc(C(=O)CCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C1CC1c1ccccc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C=Cc2ccccc2C1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C27H29N3O2.C26H26FN3O2.C26H29N3O2.C25H28ClN3O2.C25H26N4O2.2C23H26ClN3O2/c1-19-8-9-21-18-22(11-10-20(21)17-19)26(31)7-4-14-29-15-12-23(13-16-29)30-25-6-3-2-5-24(25)28-27(30)32;27-21-9-10-24-23(17-21)28-26(32)30(24)22-11-14-29(15-12-22)13-3-6-25(31)20-8-7-18-4-1-2-5-19(18)16-20;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;26-18-8-9-23-22(15-18)27-25(31)29(23)19-10-13-28(14-11-19)12-4-7-24(30)21-16-20(21)17-5-2-1-3-6-17;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;2*1-16-4-6-17(7-5-16)22(28)3-2-12-26-13-10-19(11-14-26)27-21-9-8-18(24)15-20(21)25-23(27)29/h2-3,5-6,8-11,17-18,23H,4,7,12-16H2,1H3,(H,28,32);1-2,4-5,7-10,16-17,22H,3,6,11-15H2,(H,28,32);1-4,6-9,11-12,21-22H,5,10,13-18H2,(H,27,31);1-3,5-6,8-9,15,19-21H,4,7,10-14,16H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);2*4-9,15,19H,2-3,10-14H2,1H3,(H,25,29)
InChIKeyVNNGJKWFVQUDTH-UHFFFAOYSA-N
XLogP32.35
TPSA419.59 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds43
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.94
LogP ≤ 532.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2cc(C(=O)CCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C1CC1c1ccccc1.O=C(CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C=Cc2ccccc2C1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1.
What is the InChIKey of 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?
The InChIKey is VNNGJKWFVQUDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2.C26H26FN3O2.C26H29N3O2.C25H28ClN3O2.C25H26N4O2.2C23H26ClN3O2/c1-19-8-9-21-18-22(11-10-20(21)17-19)26(31)7-4-14-29-15-12-23(13-16-29)30-25-6-3-2-5-24(25)28-27(30)32;27-21-9-10-24-23(17-21)28-26(32)30(24)22-11-14-29(15-12-22)13-3-6-25(31)20-8-7-18-4-1-2-5-19(18)16-20;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;26-18-8-9-23-22(15-18)27-25(31)29(23)19-10-13-28(14-11-19)12-4-7-24(30)21-16-20(21)17-5-2-1-3-6-17;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;2*1-16-4-6-17(7-5-16)22(28)3-2-12-26-13-10-19(11-14-26)27-21-9-8-18(24)15-20(21)25-23(27)29/h2-3,5-6,8-11,17-18,23H,4,7,12-16H2,1H3,(H,28,32);1-2,4-5,7-10,16-17,22H,3,6,11-15H2,(H,28,32);1-4,6-9,11-12,21-22H,5,10,13-18H2,(H,27,31);1-3,5-6,8-9,15,19-21H,4,7,10-14,16H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);2*4-9,15,19H,2-3,10-14H2,1H3,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 2950.94 g/mol, XLogP of 32.35, 43 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161347688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).