(S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

C124H145Cl5F6N24O2 — CID 157301037

About (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

(S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (PubChem CID 157301037) has the molecular formula C124H145Cl5F6N24O2 and a molecular weight of 2294.94 g/mol. Its IUPAC name is (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
• PubChem CID: 157301037
• Molecular Formula: C124H145Cl5F6N24O2
• Molecular Weight: 2294.94 g/mol
• Exact Mass: 2291.03
• IUPAC Name: (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
• SMILES: CCNCc1c(C)c(C)cc2c1nc(NCCN)n2Cc1ccc(F)c(Cl)c1.COC(=O)c1cnn(CCN(C)C)c1-c1cc(C)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(NCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.N[C@H](c1cc(Cl)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1)C1CC1
• InChI: InChI=1S/C29H34ClFN6O2.C26H24ClF2N3.C25H35FN6.C23H25Cl2FN4.C21H27ClFN5/c1-19-14-21(27-22(28(38)39-4)17-32-37(27)13-12-34(2)3)26-25(15-19)36(18-20-8-9-24(31)23(30)16-20)29(33-26)35-10-6-5-7-11-35;1-17-13-20(19-7-3-4-8-22(19)28)25-24(14-17)32(16-18-9-10-23(29)21(27)15-18)26(30-25)31-11-5-2-6-12-31;1-17-12-21(28-8-9-30(4)5)24-22(13-17)32(25(29-24)31-10-6-27-7-11-31)16-20-14-18(2)23(26)19(3)15-20;24-16-11-17(21(27)15-5-6-15)22-20(12-16)30(13-14-4-7-19(26)18(25)10-14)23(28-22)29-8-2-1-3-9-29;1-4-25-11-16-14(3)13(2)9-19-20(16)27-21(26-8-7-24)28(19)12-15-5-6-18(23)17(22)10-15/h8-9,14-17H,5-7,10-13,18H2,1-4H3;3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;12-15,27-28H,6-11,16H2,1-5H3;4,7,10-12,15,21H,1-3,5-6,8-9,13,27H2;5-6,9-10,25H,4,7-8,11-12,24H2,1-3H3,(H,26,27)/t;;;21-;/m...0./s1
• InChIKey: BBXAWWHOTUILEG-LOCNPRDZSA-N
• XLogP: 25.81
• TPSA: 252.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.94
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?

The IUPAC name of (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (CID 157301037) is (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.

What is the SMILES notation for (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?

The canonical SMILES for (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is CCNCc1c(C)c(C)cc2c1nc(NCCN)n2Cc1ccc(F)c(Cl)c1.COC(=O)c1cnn(CCN(C)C)c1-c1cc(C)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(NCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.N[C@H](c1cc(Cl)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1)C1CC1.

What is the InChIKey of (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?

The InChIKey is BBXAWWHOTUILEG-LOCNPRDZSA-N. The full InChI is InChI=1S/C29H34ClFN6O2.C26H24ClF2N3.C25H35FN6.C23H25Cl2FN4.C21H27ClFN5/c1-19-14-21(27-22(28(38)39-4)17-32-37(27)13-12-34(2)3)26-25(15-19)36(18-20-8-9-24(31)23(30)16-20)29(33-26)35-10-6-5-7-11-35;1-17-13-20(19-7-3-4-8-22(19)28)25-24(14-17)32(16-18-9-10-23(29)21(27)15-18)26(30-25)31-11-5-2-6-12-31;1-17-12-21(28-8-9-30(4)5)24-22(13-17)32(25(29-24)31-10-6-27-7-11-31)16-20-14-18(2)23(26)19(3)15-20;24-16-11-17(21(27)15-5-6-15)22-20(12-16)30(13-14-4-7-19(26)18(25)10-14)23(28-22)29-8-2-1-3-9-29;1-4-25-11-16-14(3)13(2)9-19-20(16)27-21(26-8-7-24)28(19)12-15-5-6-18(23)17(22)10-15/h8-9,14-17H,5-7,10-13,18H2,1-4H3;3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;12-15,27-28H,6-11,16H2,1-5H3;4,7,10-12,15,21H,1-3,5-6,8-9,13,27H2;5-6,9-10,25H,4,7-8,11-12,24H2,1-3H3,(H,26,27)/t;;;21-;/m...0./s1.

What are the key properties of (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?

(S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate has a molecular weight of 2294.94 g/mol, XLogP of 25.81, 32 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 5-[1-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 157301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).