1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine

C15H18F3N3 — CID 106556158

IUPAC1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-4-9-21-10-11(2)19-14(21)20-13-8-6-5-7-12(13)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyVTOIWSRZDDCARP-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.75
Rot. Bonds5

About 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine

1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106556158) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106556158
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-4-9-21-10-11(2)19-14(21)20-13-8-6-5-7-12(13)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyVTOIWSRZDDCARP-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106556158) is 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine is CCCCn1cc(C)nc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is VTOIWSRZDDCARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-4-9-21-10-11(2)19-14(21)20-13-8-6-5-7-12(13)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106556158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).