3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine

C18H15F4N3 — CID 113268833

IUPAC3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(F)cc2C(F)(F)F)c(N)n1Cc1ccccc1
InChIInChI=1S/C18H15F4N3/c1-11-24-16(14-8-7-13(19)9-15(14)18(20,21)22)17(23)25(11)10-12-5-3-2-4-6-12/h2-9H,10,23H2,1H3
InChIKeyCYLGTTORQHNTQX-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.65
Rot. Bonds3

About 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine

3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine (PubChem CID 113268833) has the molecular formula C18H15F4N3 and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine
PubChem CID113268833
Molecular FormulaC18H15F4N3
Molecular Weight349.33 g/mol
Exact Mass349.12
IUPAC Name3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(F)cc2C(F)(F)F)c(N)n1Cc1ccccc1
InChIInChI=1S/C18H15F4N3/c1-11-24-16(14-8-7-13(19)9-15(14)18(20,21)22)17(23)25(11)10-12-5-3-2-4-6-12/h2-9H,10,23H2,1H3
InChIKeyCYLGTTORQHNTQX-UHFFFAOYSA-N
XLogP4.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766
3-benzyl-7-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 46101952
5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 114060782
3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
CID 62225821
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 113229441
3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
CID 55048678
1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine
CID 53416526
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 113228770
2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
CID 178100947
1-[3-(bromomethyl)phenyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 118086167

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine?
The IUPAC name of 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine (CID 113268833) is 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine?
The canonical SMILES for 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine is Cc1nc(-c2ccc(F)cc2C(F)(F)F)c(N)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine?
The InChIKey is CYLGTTORQHNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3/c1-11-24-16(14-8-7-13(19)9-15(14)18(20,21)22)17(23)25(11)10-12-5-3-2-4-6-12/h2-9H,10,23H2,1H3.
What are the key properties of 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine?
3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine has a molecular weight of 349.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine is sourced from PubChem (CID 113268833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).