1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine

C104H135ClF4N20O2 — CID 158947575

About 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine

1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine (PubChem CID 158947575) has the molecular formula C104H135ClF4N20O2 and a molecular weight of 1808.81 g/mol. Its IUPAC name is 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine.

Molecular Properties

• Compound Name: 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine
• PubChem CID: 158947575
• Molecular Formula: C104H135ClF4N20O2
• Molecular Weight: 1808.81 g/mol
• Exact Mass: 1807.07
• IUPAC Name: 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine
• SMILES: Cc1cc(Cn2c(N3CCCCC3)nc3c(N4CCC(N)CC4)cc(Cl)cc32)cc(C)c1F.Cc1cc(N2CCN(C)CC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCOCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1
• InChI: InChI=1S/C27H35FN4O.C26H33ClFN5.C26H35FN6.C25H32FN5O/c1-18-13-23-26(24(14-18)33-22-7-5-4-6-8-22)30-27(31-11-9-29-10-12-31)32(23)17-21-15-19(2)25(28)20(3)16-21;1-17-12-19(13-18(2)24(17)28)16-33-23-15-20(27)14-22(31-10-6-21(29)7-11-31)25(23)30-26(33)32-8-4-3-5-9-32;1-18-13-22(31-11-9-30(4)10-12-31)25-23(14-18)33(26(29-25)32-7-5-28-6-8-32)17-21-15-19(2)24(27)20(3)16-21;1-17-12-21(29-8-10-32-11-9-29)24-22(13-17)31(25(28-24)30-6-4-27-5-7-30)16-20-14-18(2)23(26)19(3)15-20/h13-16,22,29H,4-12,17H2,1-3H3;12-15,21H,3-11,16,29H2,1-2H3;13-16,28H,5-12,17H2,1-4H3;12-15,27H,4-11,16H2,1-3H3
• InChIKey: JKZZILGXNORZJX-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 177.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.81
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine?

The IUPAC name of 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine (CID 158947575) is 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine.

What is the SMILES notation for 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine?

The canonical SMILES for 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine is Cc1cc(Cn2c(N3CCCCC3)nc3c(N4CCC(N)CC4)cc(Cl)cc32)cc(C)c1F.Cc1cc(N2CCN(C)CC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCOCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.

What is the InChIKey of 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine?

The InChIKey is JKZZILGXNORZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O.C26H33ClFN5.C26H35FN6.C25H32FN5O/c1-18-13-23-26(24(14-18)33-22-7-5-4-6-8-22)30-27(31-11-9-29-10-12-31)32(23)17-21-15-19(2)25(28)20(3)16-21;1-17-12-19(13-18(2)24(17)28)16-33-23-15-20(27)14-22(31-10-6-21(29)7-11-31)25(23)30-26(33)32-8-4-3-5-9-32;1-18-13-22(31-11-9-30(4)10-12-31)25-23(14-18)33(26(29-25)32-7-5-28-6-8-32)17-21-15-19(2)24(27)20(3)16-21;1-17-12-21(29-8-10-32-11-9-29)24-22(13-17)31(25(28-24)30-6-4-27-5-7-30)16-20-14-18(2)23(26)19(3)15-20/h13-16,22,29H,4-12,17H2,1-3H3;12-15,21H,3-11,16,29H2,1-2H3;13-16,28H,5-12,17H2,1-4H3;12-15,27H,4-11,16H2,1-3H3.

What are the key properties of 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine?

1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine has a molecular weight of 1808.81 g/mol, XLogP of 17.39, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]morpholine is sourced from PubChem (CID 158947575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).