[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C107H118Cl8F3N17O5 — CID 158505042

About [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 158505042) has the molecular formula C107H118Cl8F3N17O5 and a molecular weight of 2062.85 g/mol. Its IUPAC name is [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• PubChem CID: 158505042
• Molecular Formula: C107H118Cl8F3N17O5
• Molecular Weight: 2062.85 g/mol
• Exact Mass: 2057.70
• IUPAC Name: [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• SMILES: CC(c1ccc(Cl)cc1Cl)n1cnc2cc(C(F)(F)F)c(C3=CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4C)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4CCO)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCCN4)C[C@H]3C)cc21
• InChI: InChI=1S/C28H32Cl2N4O2.C27H30Cl2N4O.C26H25Cl2F3N4O.C26H31Cl2N5O/c1-19(23-7-6-22(29)17-24(23)30)34-18-31-25-8-5-21(16-27(25)34)20-9-12-33(13-10-20)28(36)26-4-2-3-11-32(26)14-15-35;1-18(22-8-7-21(28)16-23(22)29)33-17-30-24-9-6-20(15-26(24)33)19-10-13-32(14-11-19)27(34)25-5-3-4-12-31(25)2;1-15(18-5-4-17(27)11-21(18)28)35-14-33-23-13-20(26(29,30)31)19(12-24(23)35)16-6-9-34(10-7-16)25(36)22-3-2-8-32-22;1-17-15-31(26(34)24-5-3-4-10-29-24)11-12-32(17)20-7-9-23-25(14-20)33(16-30-23)18(2)21-8-6-19(27)13-22(21)28/h5-9,16-19,26,35H,2-4,10-15H2,1H3;6-10,15-18,25H,3-5,11-14H2,1-2H3;4-6,11-15,22,32H,2-3,7-10H2,1H3;6-9,13-14,16-18,24,29H,3-5,10-12,15H2,1-2H3/t19?,26-;18?,25-;15?,22-;17-,18?,24-/m1111/s1
• InChIKey: HKJCKDNDWDXKCM-MPNJSEJUSA-N
• XLogP: 22.94
• TPSA: 206.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.85
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The IUPAC name of [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 158505042) is [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

What is the SMILES notation for [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The canonical SMILES for [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC(c1ccc(Cl)cc1Cl)n1cnc2cc(C(F)(F)F)c(C3=CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4C)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C(=O)[C@H]4CCCCN4CCO)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCN(C(=O)[C@H]4CCCCN4)C[C@H]3C)cc21.

What is the InChIKey of [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The InChIKey is HKJCKDNDWDXKCM-MPNJSEJUSA-N. The full InChI is InChI=1S/C28H32Cl2N4O2.C27H30Cl2N4O.C26H25Cl2F3N4O.C26H31Cl2N5O/c1-19(23-7-6-22(29)17-24(23)30)34-18-31-25-8-5-21(16-27(25)34)20-9-12-33(13-10-20)28(36)26-4-2-3-11-32(26)14-15-35;1-18(22-8-7-21(28)16-23(22)29)33-17-30-24-9-6-20(15-26(24)33)19-10-13-32(14-11-19)27(34)25-5-3-4-12-31(25)2;1-15(18-5-4-17(27)11-21(18)28)35-14-33-23-13-20(26(29,30)31)19(12-24(23)35)16-6-9-34(10-7-16)25(36)22-3-2-8-32-22;1-17-15-31(26(34)24-5-3-4-10-29-24)11-12-32(17)20-7-9-23-25(14-20)33(16-30-23)18(2)21-8-6-19(27)13-22(21)28/h5-9,16-19,26,35H,2-4,10-15H2,1H3;6-10,15-18,25H,3-5,11-14H2,1-2H3;4-6,11-15,22,32H,2-3,7-10H2,1H3;6-9,13-14,16-18,24,29H,3-5,10-12,15H2,1-2H3/t19?,26-;18?,25-;15?,22-;17-,18?,24-/m1111/s1.

What are the key properties of [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 2062.85 g/mol, XLogP of 22.94, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone;[(3R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-piperidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 158505042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).