(1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C126H140Cl8F7N25O5 — CID 158701589

About (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

(1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 158701589) has the molecular formula C126H140Cl8F7N25O5 and a molecular weight of 2501.29 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• PubChem CID: 158701589
• Molecular Formula: C126H140Cl8F7N25O5
• Molecular Weight: 2501.29 g/mol
• Exact Mass: 2495.89
• IUPAC Name: (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• SMILES: CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)C[C@@H]3C)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2c(F)cc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21
• InChI: InChI=1S/C26H29ClF3N5O.C25H26Cl2FN5O.2C25H29Cl2N5O.C25H27ClF3N5O/c1-17(20-7-5-18(27)14-21(20)26(28,29)30)35-16-32-22-8-6-19(15-24(22)35)33-10-12-34(13-11-33)25(36)23-4-2-3-9-31-23;1-15(19-5-4-18(26)14-20(19)27)33-22-13-17(12-21(28)23(22)30-31-33)16-6-10-32(11-7-16)24(34)25(29)8-2-3-9-25;1-16-14-30(25(33)23-4-3-9-28-23)10-11-31(16)19-6-8-22-24(13-19)32(15-29-22)17(2)20-7-5-18(26)12-21(20)27;1-16-14-30(10-11-31(16)25(33)23-4-3-9-28-23)19-6-8-22-24(13-19)32(15-29-22)17(2)20-7-5-18(26)12-21(20)27;1-16(19-6-4-17(26)13-20(19)25(27,28)29)34-15-31-21-7-5-18(14-23(21)34)32-9-11-33(12-10-32)24(35)22-3-2-8-30-22/h5-8,14-17,23,31H,2-4,9-13H2,1H3;4-6,12-15H,2-3,7-11,29H2,1H3;2*5-8,12-13,15-17,23,28H,3-4,9-11,14H2,1-2H3;4-7,13-16,22,30H,2-3,8-12H2,1H3/t17?,23-;;16-,17?,23+;16-,17?,23-;16?,22-/m1.011/s1
• InChIKey: IHPMWGQTVIOUPN-OBZMSRAZSA-N
• XLogP: 24.68
• TPSA: 290.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.29
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The IUPAC name of (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 158701589) is (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

What is the SMILES notation for (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The canonical SMILES for (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)C[C@@H]3C)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2c(F)cc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21.

What is the InChIKey of (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The InChIKey is IHPMWGQTVIOUPN-OBZMSRAZSA-N. The full InChI is InChI=1S/C26H29ClF3N5O.C25H26Cl2FN5O.2C25H29Cl2N5O.C25H27ClF3N5O/c1-17(20-7-5-18(27)14-21(20)26(28,29)30)35-16-32-22-8-6-19(15-24(22)35)33-10-12-34(13-11-33)25(36)23-4-2-3-9-31-23;1-15(19-5-4-18(26)14-20(19)27)33-22-13-17(12-21(28)23(22)30-31-33)16-6-10-32(11-7-16)24(34)25(29)8-2-3-9-25;1-16-14-30(25(33)23-4-3-9-28-23)10-11-31(16)19-6-8-22-24(13-19)32(15-29-22)17(2)20-7-5-18(26)12-21(20)27;1-16-14-30(10-11-31(16)25(33)23-4-3-9-28-23)19-6-8-22-24(13-19)32(15-29-22)17(2)20-7-5-18(26)12-21(20)27;1-16(19-6-4-17(26)13-20(19)25(27,28)29)34-15-31-21-7-5-18(14-23(21)34)32-9-11-33(12-10-32)24(35)22-3-2-8-30-22/h5-8,14-17,23,31H,2-4,9-13H2,1H3;4-6,12-15H,2-3,7-11,29H2,1H3;2*5-8,12-13,15-17,23,28H,3-4,9-11,14H2,1-2H3;4-7,13-16,22,30H,2-3,8-12H2,1H3/t17?,23-;;16-,17?,23+;16-,17?,23-;16?,22-/m1.011/s1.

What are the key properties of (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

(1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 2501.29 g/mol, XLogP of 24.68, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclopentyl)-[4-[3-[1-(2,4-dichlorophenyl)ethyl]-7-fluorobenzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 158701589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).