1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole

C17H13F3N2 — CID 6539912

IUPAC1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)15-8-6-14(7-9-15)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKeyDRWRWALCWFLZQN-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.62
Rot. Bonds3

About 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole

1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 6539912) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID6539912
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)15-8-6-14(7-9-15)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKeyDRWRWALCWFLZQN-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole (CID 6539912) is 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole is FC(F)(F)c1ccc(-c2cn(Cc3ccccc3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is DRWRWALCWFLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c18-17(19,20)15-8-6-14(7-9-15)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2.
What are the key properties of 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole?
1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 302.30 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 6539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).