1-benzyl-2-methyl-4-(trifluoromethyl)imidazole

C12H11F3N2 — CID 101096639

IUPAC1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)cn1Cc1ccccc1
InChIInChI=1S/C12H11F3N2/c1-9-16-11(12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyBKDCAYTVVFIASY-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.26
Rot. Bonds2

About 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole

1-benzyl-2-methyl-4-(trifluoromethyl)imidazole (PubChem CID 101096639) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
PubChem CID101096639
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)cn1Cc1ccccc1
InChIInChI=1S/C12H11F3N2/c1-9-16-11(12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyBKDCAYTVVFIASY-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156528930
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CID 145173710
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
1-benzyl-2-methylimidazole
CID 158634472
2-methyl-4-(trifluoromethyl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazole
CID 177142089
1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397
1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 102104201
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
CID 67818870
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole (CID 101096639) is 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole is Cc1nc(C(F)(F)F)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is BKDCAYTVVFIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-9-16-11(12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole?
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 240.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 101096639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).