5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid

C10H15F3N2O2 — CID 174876965

IUPAC5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1cnc(C)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-3-4-5-8-6-9-7(2)10-8;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,10);(H,6,7)
InChIKeyXNHSNGZVYUWECC-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.69
Rot. Bonds3

About 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid

5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid (PubChem CID 174876965) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid
PubChem CID174876965
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1cnc(C)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-3-4-5-8-6-9-7(2)10-8;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,10);(H,6,7)
InChIKeyXNHSNGZVYUWECC-UHFFFAOYSA-N
XLogP2.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid (CID 174876965) is 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid is CCCCc1cnc(C)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is XNHSNGZVYUWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2HF3O2/c1-3-4-5-8-6-9-7(2)10-8;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,10);(H,6,7).
What are the key properties of 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid?
5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 252.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174876965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).