N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide

C241H257Cl2F11N22O3 — CID 159849213

IUPACN-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@H]1CN(C2CCC(c3ccc(C(=O)NCC(F)(F)F)cc3)C2)CCC12C=Cc1ccccc12.C[C@H]1CN(C2CCC(c3ccc(C(=O)Nc4ccccc4)cc3)C2)CCC12C=Cc1ccccc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC3(CCc4ccccc43)[C@@H](C)C2)C1.Clc1ccc2nc(-c3ccc(C4CCC(NC5CCOCC5)C4)cc3)[nH]c2c1
InChIInChI=1S/C34H34F3N3.C33H36FN3.C32H34N2O.C31H32F3N3.C30H32ClN3.C30H32FN3.C28H31F3N2O.C23H26ClN3O/c1-21-17-25(32-38-30-12-9-26(34(35,36)37)19-31(30)39-32)8-11-28(21)24-7-10-27(18-24)40-16-15-33(22(2)20-40)14-13-23-5-3-4-6-29(23)33;1-21-17-25(32-35-30-12-9-26(34)19-31(30)36-32)8-11-28(21)24-7-10-27(18-24)37-16-15-33(22(2)20-37)14-13-23-5-3-4-6-29(23)33;1-23-22-34(20-19-32(23)18-17-25-7-5-6-10-30(25)32)29-16-15-27(21-29)24-11-13-26(14-12-24)31(35)33-28-8-3-2-4-9-28;1-20-17-24(30-35-28-12-9-25(31(32,33)34)19-29(28)36-30)8-11-27(20)23-7-10-26(18-23)37-15-13-22(14-16-37)21-5-3-2-4-6-21;2*1-20-17-24(30-32-28-12-9-25(31)19-29(28)33-30)8-11-27(20)23-7-10-26(18-23)34-15-13-22(14-16-34)21-5-3-2-4-6-21;1-19-17-33(15-14-27(19)13-12-21-4-2-3-5-25(21)27)24-11-10-23(16-24)20-6-8-22(9-7-20)26(34)32-18-28(29,30)31;24-18-6-8-21-22(14-18)27-23(26-21)16-3-1-15(2-4-16)17-5-7-20(13-17)25-19-9-11-28-12-10-19/h3-6,8-9,11-14,17,19,22,24,27H,7,10,15-16,18,20H2,1-2H3,(H,38,39);3-6,8-9,11-12,17,19,22,24,27H,7,10,13-16,18,20H2,1-2H3,(H,35,36);2-14,17-18,23,27,29H,15-16,19-22H2,1H3,(H,33,35);2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,35,36);2*2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,32,33);2-9,12-13,19,23-24H,10-11,14-18H2,1H3,(H,32,34);1-4,6,8,14,17,19-20,25H,5,7,9-13H2,(H,26,27)/t2*22-,24?,27?,33?;23-,27?,29?,32?;;;;19-,23?,24?,27?;/m000...0./s1
InChIKeyNPSCSDWVTKQILS-RWFVVPECSA-N
MW3789.74 g/mol
LogP57.10
Rot. Bonds30

About N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide

N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159849213) has the molecular formula C241H257Cl2F11N22O3 and a molecular weight of 3789.74 g/mol. Its IUPAC name is N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159849213
Molecular FormulaC241H257Cl2F11N22O3
Molecular Weight3789.74 g/mol
Exact Mass3785.98
IUPAC NameN-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@H]1CN(C2CCC(c3ccc(C(=O)NCC(F)(F)F)cc3)C2)CCC12C=Cc1ccccc12.C[C@H]1CN(C2CCC(c3ccc(C(=O)Nc4ccccc4)cc3)C2)CCC12C=Cc1ccccc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC3(CCc4ccccc43)[C@@H](C)C2)C1.Clc1ccc2nc(-c3ccc(C4CCC(NC5CCOCC5)C4)cc3)[nH]c2c1
InChIInChI=1S/C34H34F3N3.C33H36FN3.C32H34N2O.C31H32F3N3.C30H32ClN3.C30H32FN3.C28H31F3N2O.C23H26ClN3O/c1-21-17-25(32-38-30-12-9-26(34(35,36)37)19-31(30)39-32)8-11-28(21)24-7-10-27(18-24)40-16-15-33(22(2)20-40)14-13-23-5-3-4-6-29(23)33;1-21-17-25(32-35-30-12-9-26(34)19-31(30)36-32)8-11-28(21)24-7-10-27(18-24)37-16-15-33(22(2)20-37)14-13-23-5-3-4-6-29(23)33;1-23-22-34(20-19-32(23)18-17-25-7-5-6-10-30(25)32)29-16-15-27(21-29)24-11-13-26(14-12-24)31(35)33-28-8-3-2-4-9-28;1-20-17-24(30-35-28-12-9-25(31(32,33)34)19-29(28)36-30)8-11-27(20)23-7-10-26(18-23)37-15-13-22(14-16-37)21-5-3-2-4-6-21;2*1-20-17-24(30-32-28-12-9-25(31)19-29(28)33-30)8-11-27(20)23-7-10-26(18-23)34-15-13-22(14-16-34)21-5-3-2-4-6-21;1-19-17-33(15-14-27(19)13-12-21-4-2-3-5-25(21)27)24-11-10-23(16-24)20-6-8-22(9-7-20)26(34)32-18-28(29,30)31;24-18-6-8-21-22(14-18)27-23(26-21)16-3-1-15(2-4-16)17-5-7-20(13-17)25-19-9-11-28-12-10-19/h3-6,8-9,11-14,17,19,22,24,27H,7,10,15-16,18,20H2,1-2H3,(H,38,39);3-6,8-9,11-12,17,19,22,24,27H,7,10,13-16,18,20H2,1-2H3,(H,35,36);2-14,17-18,23,27,29H,15-16,19-22H2,1H3,(H,33,35);2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,35,36);2*2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,32,33);2-9,12-13,19,23-24H,10-11,14-18H2,1H3,(H,32,34);1-4,6,8,14,17,19-20,25H,5,7,9-13H2,(H,26,27)/t2*22-,24?,27?,33?;23-,27?,29?,32?;;;;19-,23?,24?,27?;/m000...0./s1
InChIKeyNPSCSDWVTKQILS-RWFVVPECSA-N
XLogP57.10
TPSA274.22 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003789.74
LogP ≤ 557.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159849213) is N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide is C[C@H]1CN(C2CCC(c3ccc(C(=O)NCC(F)(F)F)cc3)C2)CCC12C=Cc1ccccc12.C[C@H]1CN(C2CCC(c3ccc(C(=O)Nc4ccccc4)cc3)C2)CCC12C=Cc1ccccc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC(c3ccccc3)CC2)C1.Cc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1C1CCC(N2CCC3(CCc4ccccc43)[C@@H](C)C2)C1.Clc1ccc2nc(-c3ccc(C4CCC(NC5CCOCC5)C4)cc3)[nH]c2c1.
What is the InChIKey of N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NPSCSDWVTKQILS-RWFVVPECSA-N. The full InChI is InChI=1S/C34H34F3N3.C33H36FN3.C32H34N2O.C31H32F3N3.C30H32ClN3.C30H32FN3.C28H31F3N2O.C23H26ClN3O/c1-21-17-25(32-38-30-12-9-26(34(35,36)37)19-31(30)39-32)8-11-28(21)24-7-10-27(18-24)40-16-15-33(22(2)20-40)14-13-23-5-3-4-6-29(23)33;1-21-17-25(32-35-30-12-9-26(34)19-31(30)36-32)8-11-28(21)24-7-10-27(18-24)37-16-15-33(22(2)20-37)14-13-23-5-3-4-6-29(23)33;1-23-22-34(20-19-32(23)18-17-25-7-5-6-10-30(25)32)29-16-15-27(21-29)24-11-13-26(14-12-24)31(35)33-28-8-3-2-4-9-28;1-20-17-24(30-35-28-12-9-25(31(32,33)34)19-29(28)36-30)8-11-27(20)23-7-10-26(18-23)37-15-13-22(14-16-37)21-5-3-2-4-6-21;2*1-20-17-24(30-32-28-12-9-25(31)19-29(28)33-30)8-11-27(20)23-7-10-26(18-23)34-15-13-22(14-16-34)21-5-3-2-4-6-21;1-19-17-33(15-14-27(19)13-12-21-4-2-3-5-25(21)27)24-11-10-23(16-24)20-6-8-22(9-7-20)26(34)32-18-28(29,30)31;24-18-6-8-21-22(14-18)27-23(26-21)16-3-1-15(2-4-16)17-5-7-20(13-17)25-19-9-11-28-12-10-19/h3-6,8-9,11-14,17,19,22,24,27H,7,10,15-16,18,20H2,1-2H3,(H,38,39);3-6,8-9,11-12,17,19,22,24,27H,7,10,13-16,18,20H2,1-2H3,(H,35,36);2-14,17-18,23,27,29H,15-16,19-22H2,1H3,(H,33,35);2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,35,36);2*2-6,8-9,11-12,17,19,22-23,26H,7,10,13-16,18H2,1H3,(H,32,33);2-9,12-13,19,23-24H,10-11,14-18H2,1H3,(H,32,34);1-4,6,8,14,17,19-20,25H,5,7,9-13H2,(H,26,27)/t2*22-,24?,27?,33?;23-,27?,29?,32?;;;;19-,23?,24?,27?;/m000...0./s1.
What are the key properties of N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide?
N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3789.74 g/mol, XLogP of 57.10, 30 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]oxan-4-amine;6-chloro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-1'-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclopentyl]-3'-methylspiro[1,2-dihydroindene-3,4'-piperidine];6-fluoro-2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-1H-benzimidazole;(3'R)-3'-methyl-1'-[3-[2-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclopentyl]spiro[indene-1,4'-piperidine];2-[3-methyl-4-[3-(4-phenylpiperidin-1-yl)cyclopentyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159849213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).