5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole

C22H17F3N2O — CID 53243508

IUPAC5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc2cc(-c3cnc(-c4ccc(C(F)(F)F)cc4)n3C)ccc2c1
InChIInChI=1S/C22H17F3N2O/c1-27-20(17-4-3-16-12-19(28-2)10-7-15(16)11-17)13-26-21(27)14-5-8-18(9-6-14)22(23,24)25/h3-13H,1-2H3
InChIKeyHVJVIQVBFBMOLO-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.93
Rot. Bonds3

About 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole

5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 53243508) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID53243508
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc2cc(-c3cnc(-c4ccc(C(F)(F)F)cc4)n3C)ccc2c1
InChIInChI=1S/C22H17F3N2O/c1-27-20(17-4-3-16-12-19(28-2)10-7-15(16)11-17)13-26-21(27)14-5-8-18(9-6-14)22(23,24)25/h3-13H,1-2H3
InChIKeyHVJVIQVBFBMOLO-UHFFFAOYSA-N
XLogP5.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11431774
CID 11431774
CID 6539900
CID 6539900
CID 11514098
CID 11514098
CID 44433173
CID 44433173
CID 45103811
CID 45103811
CID 1096451
CID 1096451
CID 24180608
CID 24180608
CID 56928046
CID 56928046
CID 162396657
CID 162396657
CID 6539910
CID 6539910
CID 6539911
CID 6539911
CID 10390776
CID 10390776

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (CID 53243508) is 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is COc1ccc2cc(-c3cnc(-c4ccc(C(F)(F)F)cc4)n3C)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is HVJVIQVBFBMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-27-20(17-4-3-16-12-19(28-2)10-7-15(16)11-17)13-26-21(27)14-5-8-18(9-6-14)22(23,24)25/h3-13H,1-2H3.
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 382.39 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 53243508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).