[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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone

C101H116Cl7F3N20O4 — CID 159873230

About [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone (PubChem CID 159873230) has the molecular formula C101H116Cl7F3N20O4 and a molecular weight of 1979.34 g/mol. Its IUPAC name is [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

• Compound Name: [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
• PubChem CID: 159873230
• Molecular Formula: C101H116Cl7F3N20O4
• Molecular Weight: 1979.34 g/mol
• Exact Mass: 1974.73
• IUPAC Name: [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
• SMILES: CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)C4(C)CCCCN4)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
• InChI: InChI=1S/C26H31Cl2N5O.2C25H29Cl2N5O.C25H27ClF3N5O/c1-18(21-7-5-19(27)15-22(21)28)33-17-29-23-8-6-20(16-24(23)33)31-11-13-32(14-12-31)25(34)26(2)9-3-4-10-30-26;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/h5-8,15-18,30H,3-4,9-14H2,1-2H3;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/t;16-,17?,23+;16-,17?,23-;16?,22-/m.011/s1
• InChIKey: NSONVPZHMVAZNK-OVLKNQGQSA-N
• XLogP: 19.33
• TPSA: 213.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.34
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone?

The IUPAC name of [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone (CID 159873230) is [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone.

What is the SMILES notation for [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone?

The canonical SMILES for [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone is CC(c1ccc(Cl)cc1C(F)(F)F)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)C4(C)CCCCN4)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.

What is the InChIKey of [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone?

The InChIKey is NSONVPZHMVAZNK-OVLKNQGQSA-N. The full InChI is InChI=1S/C26H31Cl2N5O.2C25H29Cl2N5O.C25H27ClF3N5O/c1-18(21-7-5-19(27)15-22(21)28)33-17-29-23-8-6-20(16-24(23)33)31-11-13-32(14-12-31)25(34)26(2)9-3-4-10-30-26;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/h5-8,15-18,30H,3-4,9-14H2,1-2H3;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/t;16-,17?,23+;16-,17?,23-;16?,22-/m.011/s1.

What are the key properties of [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone has a molecular weight of 1979.34 g/mol, XLogP of 19.33, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [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;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 159873230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).