5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole

C21H15F3N2O — CID 121386421

IUPAC5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
SMILESCc1ccccc1-c1cnc(-c2ccc(-c3ccccc3C(F)(F)F)o2)[nH]1
InChIInChI=1S/C21H15F3N2O/c1-13-6-2-3-7-14(13)17-12-25-20(26-17)19-11-10-18(27-19)15-8-4-5-9-16(15)21(22,23)24/h2-12H,1H3,(H,25,26)
InChIKeyXKFZVVFPSOCDMH-UHFFFAOYSA-N
MW368.36 g/mol
LogP6.33
Rot. Bonds3

About 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole

5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole (PubChem CID 121386421) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
PubChem CID121386421
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
SMILESCc1ccccc1-c1cnc(-c2ccc(-c3ccccc3C(F)(F)F)o2)[nH]1
InChIInChI=1S/C21H15F3N2O/c1-13-6-2-3-7-14(13)17-12-25-20(26-17)19-11-10-18(27-19)15-8-4-5-9-16(15)21(22,23)24/h2-12H,1H3,(H,25,26)
InChIKeyXKFZVVFPSOCDMH-UHFFFAOYSA-N
XLogP6.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The IUPAC name of 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole (CID 121386421) is 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The canonical SMILES for 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole is Cc1ccccc1-c1cnc(-c2ccc(-c3ccccc3C(F)(F)F)o2)[nH]1.
What is the InChIKey of 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The InChIKey is XKFZVVFPSOCDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c1-13-6-2-3-7-14(13)17-12-25-20(26-17)19-11-10-18(27-19)15-8-4-5-9-16(15)21(22,23)24/h2-12H,1H3,(H,25,26).
What are the key properties of 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole has a molecular weight of 368.36 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole is sourced from PubChem (CID 121386421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).