2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine

C124H149Cl3F5N23O — CID 159959807

About 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine

2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine (PubChem CID 159959807) has the molecular formula C124H149Cl3F5N23O and a molecular weight of 2179.06 g/mol. Its IUPAC name is 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine.

Molecular Properties

• Compound Name: 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine
• PubChem CID: 159959807
• Molecular Formula: C124H149Cl3F5N23O
• Molecular Weight: 2179.06 g/mol
• Exact Mass: 2176.13
• IUPAC Name: 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine
• SMILES: CCC[C@H](N)c1cc(C)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(CO)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc2c(nc(N3CCCCC3)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2F)c1C.Cc1ccc(Cn2c(N3CCNCC3)nc3c(-c4ccnn4CCN(C)C)cc(Cl)cc32)cc1Cl
• InChI: InChI=1S/C27H26ClF2N3.C26H31Cl2N7.C25H34FN5.C23H30FN5.C23H28FN3O/c1-17-14-24-26(25(18(17)2)20-8-4-5-9-22(20)29)31-27(32-12-6-3-7-13-32)33(24)16-19-10-11-23(30)21(28)15-19;1-18-4-5-19(14-22(18)28)17-34-24-16-20(27)15-21(23-6-7-30-35(23)13-12-32(2)3)25(24)31-26(34)33-10-8-29-9-11-33;1-5-6-21(27)20-11-16(2)12-22-24(20)29-25(30-9-7-28-8-10-30)31(22)15-19-13-17(3)23(26)18(4)14-19;1-15-10-19(27(4)5)22-20(11-15)29(23(26-22)28-8-6-25-7-9-28)14-18-12-16(2)21(24)17(3)13-18;1-15-9-19(14-28)22-20(10-15)27(23(25-22)26-7-5-4-6-8-26)13-18-11-16(2)21(24)17(3)12-18/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3;4-7,14-16,29H,8-13,17H2,1-3H3;11-14,21,28H,5-10,15,27H2,1-4H3;10-13,25H,6-9,14H2,1-5H3;9-12,28H,4-8,13-14H2,1-3H3/t;;21-;;/m..0../s1
• InChIKey: ODELDPBTLDAOHE-OMDLMCHHSA-N
• XLogP: 24.44
• TPSA: 211.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.06
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine?

The IUPAC name of 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine (CID 159959807) is 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine.

What is the SMILES notation for 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine?

The canonical SMILES for 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine is CCC[C@H](N)c1cc(C)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(CO)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc2c(nc(N3CCCCC3)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2F)c1C.Cc1ccc(Cn2c(N3CCNCC3)nc3c(-c4ccnn4CCN(C)C)cc(Cl)cc32)cc1Cl.

What is the InChIKey of 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine?

The InChIKey is ODELDPBTLDAOHE-OMDLMCHHSA-N. The full InChI is InChI=1S/C27H26ClF2N3.C26H31Cl2N7.C25H34FN5.C23H30FN5.C23H28FN3O/c1-17-14-24-26(25(18(17)2)20-8-4-5-9-22(20)29)31-27(32-12-6-3-7-13-32)33(24)16-19-10-11-23(30)21(28)15-19;1-18-4-5-19(14-22(18)28)17-34-24-16-20(27)15-21(23-6-7-30-35(23)13-12-32(2)3)25(24)31-26(34)33-10-8-29-9-11-33;1-5-6-21(27)20-11-16(2)12-22-24(20)29-25(30-9-7-28-8-10-30)31(22)15-19-13-17(3)23(26)18(4)14-19;1-15-10-19(27(4)5)22-20(11-15)29(23(26-22)28-8-6-25-7-9-28)14-18-12-16(2)21(24)17(3)13-18;1-15-9-19(14-28)22-20(10-15)27(23(25-22)26-7-5-4-6-8-26)13-18-11-16(2)21(24)17(3)12-18/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3;4-7,14-16,29H,8-13,17H2,1-3H3;11-14,21,28H,5-10,15,27H2,1-4H3;10-13,25H,6-9,14H2,1-5H3;9-12,28H,4-8,13-14H2,1-3H3/t;;21-;;/m..0../s1.

What are the key properties of 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine?

2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine has a molecular weight of 2179.06 g/mol, XLogP of 24.44, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine is sourced from PubChem (CID 159959807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).