1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine

C24H26ClF3N4O — CID 11540231

IUPAC1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClF3N4O/c1-31-11-13-32(14-12-31)10-5-15-33-18-8-9-19(20(25)16-18)23-29-21(17-6-3-2-4-7-17)22(30-23)24(26,27)28/h2-4,6-9,16H,5,10-15H2,1H3,(H,29,30)
InChIKeyUIMORZQCYMONNX-UHFFFAOYSA-N
MW478.95 g/mol
LogP5.43
Rot. Bonds7

About 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine

1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine (PubChem CID 11540231) has the molecular formula C24H26ClF3N4O and a molecular weight of 478.95 g/mol. Its IUPAC name is 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine
PubChem CID11540231
Molecular FormulaC24H26ClF3N4O
Molecular Weight478.95 g/mol
Exact Mass478.17
IUPAC Name1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClF3N4O/c1-31-11-13-32(14-12-31)10-5-15-33-18-8-9-19(20(25)16-18)23-29-21(17-6-3-2-4-7-17)22(30-23)24(26,27)28/h2-4,6-9,16H,5,10-15H2,1H3,(H,29,30)
InChIKeyUIMORZQCYMONNX-UHFFFAOYSA-N
XLogP5.43
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.95
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11212855
2-{2-Chloro-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-4,5-dimethyl-1H-benzoimidazole
CID 11258458
2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-4,6-dimethyl-1H-1,3-benzodiazole
CID 11258459
4-{2-Chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-3,5-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7,10,12-hexaene
CID 11293460
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
3-[(2,6-dichlorophenyl)methyl]-8-(2-methoxyphenyl)-7H-purin-6-imine
CID 155229643
N-[2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]ethyl]butan-1-amine
CID 44532029
2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole
CID 52947272
6-chloro-2-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole
CID 46502786
(3-{4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-phenoxy}-propyl)-dimethyl-amine
CID 10273406
2-(4-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-1H-benzoimidazole
CID 15817167
2-(4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-1H-benzoimidazole
CID 15817169

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine (CID 11540231) is 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine is CN1CCN(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine?
The InChIKey is UIMORZQCYMONNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O/c1-31-11-13-32(14-12-31)10-5-15-33-18-8-9-19(20(25)16-18)23-29-21(17-6-3-2-4-7-17)22(30-23)24(26,27)28/h2-4,6-9,16H,5,10-15H2,1H3,(H,29,30).
What are the key properties of 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine?
1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine has a molecular weight of 478.95 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]-4-methylpiperazine is sourced from PubChem (CID 11540231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).