2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

C101H106Cl8N18O6 — CID 159126624

About 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (PubChem CID 159126624) has the molecular formula C101H106Cl8N18O6 and a molecular weight of 1951.70 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
• PubChem CID: 159126624
• Molecular Formula: C101H106Cl8N18O6
• Molecular Weight: 1951.70 g/mol
• Exact Mass: 1946.61
• IUPAC Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
• SMILES: COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.COCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C
• InChI: InChI=1S/C27H28Cl2N4O.C25H27Cl2N5O2.C25H27Cl2N5O.C24H24Cl2N4O2/c1-16-12-17(15-30)13-23-26(16)31-24(32(23)2)14-21-22(28)7-6-20(25(21)29)27(34)33-10-8-19(9-11-33)18-4-3-5-18;1-16-12-17(15-28)13-21-24(16)29-22(30(21)2)14-19-20(26)5-4-18(23(19)27)25(33)32-8-6-31(7-9-32)10-11-34-3;1-15-11-16(14-28)12-21-24(15)29-22(31(21)4)13-19-20(26)6-5-18(23(19)27)25(33)32-9-7-17(8-10-32)30(2)3;1-14-10-15(13-27)11-20-23(14)28-21(29(20)2)12-18-19(25)5-4-17(22(18)26)24(31)30-8-6-16(32-3)7-9-30/h6-7,12-13,18-19H,3-5,8-11,14H2,1-2H3;4-5,12-13H,6-11,14H2,1-3H3;5-6,11-12,17H,7-10,13H2,1-4H3;4-5,10-11,16H,6-9,12H2,1-3H3
• InChIKey: KGIZJURPDGSUNC-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 272.62 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1951.70
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?

The IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (CID 159126624) is 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.

What is the SMILES notation for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?

The canonical SMILES for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.COCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C.

What is the InChIKey of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?

The InChIKey is KGIZJURPDGSUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O.C25H27Cl2N5O2.C25H27Cl2N5O.C24H24Cl2N4O2/c1-16-12-17(15-30)13-23-26(16)31-24(32(23)2)14-21-22(28)7-6-20(25(21)29)27(34)33-10-8-19(9-11-33)18-4-3-5-18;1-16-12-17(15-28)13-21-24(16)29-22(30(21)2)14-19-20(26)5-4-18(23(19)27)25(33)32-8-6-31(7-9-32)10-11-34-3;1-15-11-16(14-28)12-21-24(15)29-22(31(21)4)13-19-20(26)6-5-18(23(19)27)25(33)32-9-7-17(8-10-32)30(2)3;1-14-10-15(13-27)11-20-23(14)28-21(29(20)2)12-18-19(25)5-4-17(22(18)26)24(31)30-8-6-16(32-3)7-9-30/h6-7,12-13,18-19H,3-5,8-11,14H2,1-2H3;4-5,12-13H,6-11,14H2,1-3H3;5-6,11-12,17H,7-10,13H2,1-4H3;4-5,10-11,16H,6-9,12H2,1-3H3.

What are the key properties of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?

2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile has a molecular weight of 1951.70 g/mol, XLogP of 20.08, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 159126624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).