[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C26H31Cl2F3N4O2 — CID 146493882

IUPAC[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC1=c2nc(Cc3c(Cl)ccc(C(=O)N4CCN(CC(C)O)CC4)c3Cl)n(C)c2=CC(C(F)(F)F)C1C
InChIInChI=1S/C26H31Cl2F3N4O2/c1-14(36)13-34-7-9-35(10-8-34)25(37)17-5-6-20(27)18(23(17)28)11-22-32-24-16(3)15(2)19(26(29,30)31)12-21(24)33(22)4/h5-6,12,14-15,19,36H,7-11,13H2,1-4H3
InChIKeyJHPQADZBTCTIGQ-UHFFFAOYSA-N
MW559.46 g/mol
LogP3.24
Rot. Bonds5

About [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 146493882) has the molecular formula C26H31Cl2F3N4O2 and a molecular weight of 559.46 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID146493882
Molecular FormulaC26H31Cl2F3N4O2
Molecular Weight559.46 g/mol
Exact Mass558.18
IUPAC Name[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC1=c2nc(Cc3c(Cl)ccc(C(=O)N4CCN(CC(C)O)CC4)c3Cl)n(C)c2=CC(C(F)(F)F)C1C
InChIInChI=1S/C26H31Cl2F3N4O2/c1-14(36)13-34-7-9-35(10-8-34)25(37)17-5-6-20(27)18(23(17)28)11-22-32-24-16(3)15(2)19(26(29,30)31)12-21(24)33(22)4/h5-6,12,14-15,19,36H,7-11,13H2,1-4H3
InChIKeyJHPQADZBTCTIGQ-UHFFFAOYSA-N
XLogP3.24
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159126625
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
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
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 56802501
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689
1-[3-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone
CID 160692434
[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 162613870
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 146493882) is [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC1=c2nc(Cc3c(Cl)ccc(C(=O)N4CCN(CC(C)O)CC4)c3Cl)n(C)c2=CC(C(F)(F)F)C1C.
What is the InChIKey of [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is JHPQADZBTCTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2F3N4O2/c1-14(36)13-34-7-9-35(10-8-34)25(37)17-5-6-20(27)18(23(17)28)11-22-32-24-16(3)15(2)19(26(29,30)31)12-21(24)33(22)4/h5-6,12,14-15,19,36H,7-11,13H2,1-4H3.
What are the key properties of [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 559.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146493882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).