1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

C18H13Cl2F3N2O — CID 11949842

IUPAC1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESFC(F)(F)c1cccc(OCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H13Cl2F3N2O/c19-14-6-12(7-15(20)9-14)10-25-5-4-24-17(25)11-26-16-3-1-2-13(8-16)18(21,22)23/h1-9H,10-11H2
InChIKeyMUYQURUSOQOWKR-UHFFFAOYSA-N
MW401.22 g/mol
LogP5.84
Rot. Bonds5

About 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (PubChem CID 11949842) has the molecular formula C18H13Cl2F3N2O and a molecular weight of 401.22 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
PubChem CID11949842
Molecular FormulaC18H13Cl2F3N2O
Molecular Weight401.22 g/mol
Exact Mass400.04
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESFC(F)(F)c1cccc(OCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H13Cl2F3N2O/c19-14-6-12(7-15(20)9-14)10-25-5-4-24-17(25)11-26-16-3-1-2-13(8-16)18(21,22)23/h1-9H,10-11H2
InChIKeyMUYQURUSOQOWKR-UHFFFAOYSA-N
XLogP5.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
1-[6-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methoxy]-2-pyridinyl]piperazine
CID 11950345
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
methyl 3-chloro-5-[[3-(trifluoromethyl)phenoxy]methyl]benzoate
CID 122475941
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
CID 146557507
1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole
CID 11949839
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
CID 3744425

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (CID 11949842) is 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is FC(F)(F)c1cccc(OCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The InChIKey is MUYQURUSOQOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O/c19-14-6-12(7-15(20)9-14)10-25-5-4-24-17(25)11-26-16-3-1-2-13(8-16)18(21,22)23/h1-9H,10-11H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole has a molecular weight of 401.22 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is sourced from PubChem (CID 11949842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).