2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

C104H112Cl8N16O6 — CID 159248405

IUPAC2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
SMILESCCC(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.COCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)(C)O)CC3)c1Cl)n2C
InChIInChI=1S/C28H32Cl2N4O.C26H28Cl2N4O2.C25H26Cl2N4O2.C25H26Cl2N4O/c1-6-28(3,4)19-9-11-34(12-10-19)27(35)20-7-8-22(29)21(25(20)30)15-24-32-26-17(2)13-18(16-31)14-23(26)33(24)5;1-15-11-16(14-29)12-21-24(15)30-22(31(21)4)13-19-20(27)6-5-18(23(19)28)25(33)32-9-7-17(8-10-32)26(2,3)34;1-15-10-17(13-28)11-21-24(15)29-22(30(21)2)12-19-20(26)5-4-18(23(19)27)25(32)31-8-6-16(7-9-31)14-33-3;1-4-16-7-9-31(10-8-16)25(32)18-5-6-20(26)19(23(18)27)13-22-29-24-15(2)11-17(14-28)12-21(24)30(22)3/h7-8,13-14,19H,6,9-12,15H2,1-5H3;5-6,11-12,17,34H,7-10,13H2,1-4H3;4-5,10-11,16H,6-9,12,14H2,1-3H3;5-6,11-12,16H,4,7-10,13H2,1-3H3
InChIKeyKUYXDEMOMQBMGQ-UHFFFAOYSA-N
MW1965.77 g/mol
LogP23.28
Rot. Bonds18

About 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (PubChem CID 159248405) has the molecular formula C104H112Cl8N16O6 and a molecular weight of 1965.77 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
PubChem CID159248405
Molecular FormulaC104H112Cl8N16O6
Molecular Weight1965.77 g/mol
Exact Mass1960.65
IUPAC Name2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
SMILESCCC(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.COCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)(C)O)CC3)c1Cl)n2C
InChIInChI=1S/C28H32Cl2N4O.C26H28Cl2N4O2.C25H26Cl2N4O2.C25H26Cl2N4O/c1-6-28(3,4)19-9-11-34(12-10-19)27(35)20-7-8-22(29)21(25(20)30)15-24-32-26-17(2)13-18(16-31)14-23(26)33(24)5;1-15-11-16(14-29)12-21-24(15)30-22(31(21)4)13-19-20(27)6-5-18(23(19)28)25(33)32-9-7-17(8-10-32)26(2,3)34;1-15-10-17(13-28)11-21-24(15)29-22(30(21)2)12-19-20(26)5-4-18(23(19)27)25(32)31-8-6-16(7-9-31)14-33-3;1-4-16-7-9-31(10-8-16)25(32)18-5-6-20(26)19(23(18)27)13-22-29-24-15(2)11-17(14-28)12-21(24)30(22)3/h7-8,13-14,19H,6,9-12,15H2,1-5H3;5-6,11-12,17,34H,7-10,13H2,1-4H3;4-5,10-11,16H,6-9,12,14H2,1-3H3;5-6,11-12,16H,4,7-10,13H2,1-3H3
InChIKeyKUYXDEMOMQBMGQ-UHFFFAOYSA-N
XLogP23.28
TPSA277.14 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001965.77
LogP ≤ 523.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile with MolForge

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Related Compounds

2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159126625
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylpyrrolidin-1-yl)methanone
CID 160868988
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
CID 145203620
2-[[2,6-dichloro-3-[2-(oxan-4-yl)acetyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
CID 146950862
1-[[2,6-dichloro-3-[4-(2-hydroxyprop-2-enyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylindole-5-carbonitrile
CID 160900415
2-[1-[2,4-dichloro-3-[(6-cyano-1,4-dimethyl-1H-inden-2-yl)methyl]benzoyl]piperidin-4-yl]oxyacetic acid
CID 146494285
2-azaspiro[3.3]heptan-2-yl-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 160572105
N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide
CID 146493989
methyl 2-[1-[1-[2,4-dichloro-3-[(5-cyano-1,4-dimethylindol-2-yl)methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206598
2,4-dichloro-3-[[6-(1,1-difluoroprop-2-enyl)-1,4-dimethylbenzimidazol-2-yl]methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 145206642
4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
CID 90984394

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (CID 159248405) is 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is CCC(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.COCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)(C)O)CC3)c1Cl)n2C.
What is the InChIKey of 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The InChIKey is KUYXDEMOMQBMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N4O.C26H28Cl2N4O2.C25H26Cl2N4O2.C25H26Cl2N4O/c1-6-28(3,4)19-9-11-34(12-10-19)27(35)20-7-8-22(29)21(25(20)30)15-24-32-26-17(2)13-18(16-31)14-23(26)33(24)5;1-15-11-16(14-29)12-21-24(15)30-22(31(21)4)13-19-20(27)6-5-18(23(19)28)25(33)32-9-7-17(8-10-32)26(2,3)34;1-15-10-17(13-28)11-21-24(15)29-22(30(21)2)12-19-20(26)5-4-18(23(19)27)25(32)31-8-6-16(7-9-31)14-33-3;1-4-16-7-9-31(10-8-16)25(32)18-5-6-20(26)19(23(18)27)13-22-29-24-15(2)11-17(14-28)12-21(24)30(22)3/h7-8,13-14,19H,6,9-12,15H2,1-5H3;5-6,11-12,17,34H,7-10,13H2,1-4H3;4-5,10-11,16H,6-9,12,14H2,1-3H3;5-6,11-12,16H,4,7-10,13H2,1-3H3.
What are the key properties of 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile has a molecular weight of 1965.77 g/mol, XLogP of 23.28, 18 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 159248405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).