N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole

C126H134Cl5F6N17O — CID 160548916

About N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole

N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 160548916) has the molecular formula C126H134Cl5F6N17O and a molecular weight of 2193.83 g/mol. Its IUPAC name is N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

• Compound Name: N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole
• PubChem CID: 160548916
• Molecular Formula: C126H134Cl5F6N17O
• Molecular Weight: 2193.83 g/mol
• Exact Mass: 2189.93
• IUPAC Name: N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole
• SMILES: Cc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(CN2CCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(CO)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C
• InChI: InChI=1S/C27H35FN4.C26H24Cl2FN3.C26H24ClF2N3.C24H23Cl2FN4.C23H28FN3O/c1-19-13-23(18-30-9-7-8-10-30)26-24(14-19)32(27(29-26)31-11-5-4-6-12-31)17-22-15-20(2)25(28)21(3)16-22;1-17-13-20(19-7-3-4-8-21(19)27)25-24(14-17)32(16-18-9-10-23(29)22(28)15-18)26(30-25)31-11-5-2-6-12-31;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;1-14-11-21-23(22(15(14)2)17-5-3-4-6-18(17)25)30-24(29-10-9-28)31(21)13-16-7-8-20(27)19(26)12-16;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/h13-16H,4-12,17-18H2,1-3H3;2*3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30);9-12,28H,4-8,13-14H2,1-3H3
• InChIKey: QXUKYZDNVHIQGY-UHFFFAOYSA-N
• XLogP: 31.03
• TPSA: 163.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.83
LogP ≤ 5	31.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole?

The IUPAC name of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole (CID 160548916) is N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole.

What is the SMILES notation for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole?

The canonical SMILES for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole is Cc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(CN2CCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(CO)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.

What is the InChIKey of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole?

The InChIKey is QXUKYZDNVHIQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4.C26H24Cl2FN3.C26H24ClF2N3.C24H23Cl2FN4.C23H28FN3O/c1-19-13-23(18-30-9-7-8-10-30)26-24(14-19)32(27(29-26)31-11-5-4-6-12-31)17-22-15-20(2)25(28)21(3)16-22;1-17-13-20(19-7-3-4-8-21(19)27)25-24(14-17)32(16-18-9-10-23(29)22(28)15-18)26(30-25)31-11-5-2-6-12-31;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;1-14-11-21-23(22(15(14)2)17-5-3-4-6-18(17)25)30-24(29-10-9-28)31(21)13-16-7-8-20(27)19(26)12-16;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/h13-16H,4-12,17-18H2,1-3H3;2*3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30);9-12,28H,4-8,13-14H2,1-3H3.

What are the key properties of N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole?

N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 2193.83 g/mol, XLogP of 31.03, 23 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 160548916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).