tris(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

C124H117Cl9F6N18 — CID 160871901

IUPACtris(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
SMILESCc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C26H24Cl2FN3.C26H24ClF2N3.3C24H23Cl2FN4/c1-17-13-20(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;3*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/h2*3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;3*3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30)
InChIKeySLWDZFLEKASSDI-UHFFFAOYSA-N
MW2292.49 g/mol
LogP33.03
Rot. Bonds26

About tris(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

tris(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 (PubChem CID 160871901) has the molecular formula C124H117Cl9F6N18 and a molecular weight of 2292.49 g/mol. Its IUPAC name is tris(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.

Molecular Properties

Compound Nametris(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
PubChem CID160871901
Molecular FormulaC124H117Cl9F6N18
Molecular Weight2292.49 g/mol
Exact Mass2286.68
IUPAC Nametris(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
SMILESCc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C26H24Cl2FN3.C26H24ClF2N3.3C24H23Cl2FN4/c1-17-13-20(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;3*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/h2*3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;3*3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30)
InChIKeySLWDZFLEKASSDI-UHFFFAOYSA-N
XLogP33.03
TPSA209.73 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002292.49
LogP ≤ 533.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze tris(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 with MolForge

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Related Compounds

1-[(3-Chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperazin-1-ylbenzimidazole
CID 147960687
6-Chloro-4-[2-[2-(2-chlorophenyl)ethynyl]-6-methylphenyl]-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 148182837
4-(2-Chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole
CID 148718297
N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine
CID 149055408
1-[(3-Chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperazin-1-ylbenzimidazole
CID 149329425
1-[(3-Chloro-4-fluorophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole
CID 149342335
1-[(3-Chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-yl-4-(2-propan-2-ylphenyl)benzimidazole
CID 151234100
[4-[1-[(3-Chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]phenyl]methanamine
CID 152980151
6-Chloro-4-[2-[2-(2-chlorophenyl)ethynyl]phenyl]-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 153290672
1-[(3-Chloro-4-fluorophenyl)methyl]-5,6-dimethyl-4-phenyl-2-piperazin-1-ylbenzimidazole
CID 153290692
1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine
CID 153290723
2-[1-[(3-Chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]ethanamine
CID 153290727

Frequently Asked Questions

What is the IUPAC name of tris(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?
The IUPAC name of tris(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 (CID 160871901) is tris(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.
What is the SMILES notation for tris(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?
The canonical SMILES for tris(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 is Cc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(-c2ccccc2F)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.Cc1cc2c(nc(NCCN)n2Cc2ccc(F)c(Cl)c2)c(-c2ccccc2Cl)c1C.
What is the InChIKey of tris(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?
The InChIKey is SLWDZFLEKASSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN3.C26H24ClF2N3.3C24H23Cl2FN4/c1-17-13-20(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;3*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/h2*3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;3*3-8,11-12H,9-10,13,28H2,1-2H3,(H,29,30).
What are the key properties of tris(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?
tris(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 has a molecular weight of 2292.49 g/mol, XLogP of 33.03, 26 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(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 is sourced from PubChem (CID 160871901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).