2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine

C15H18F3N3 — CID 63925969

IUPAC2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C15H18F3N3/c1-10(2)7-19-9-14-20-8-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,8,10,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyGCVPVZPFKLLFAC-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.84
Rot. Bonds5

About 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine (PubChem CID 63925969) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
PubChem CID63925969
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C15H18F3N3/c1-10(2)7-19-9-14-20-8-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,8,10,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyGCVPVZPFKLLFAC-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine (CID 63925969) is 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1ncc(-c2ccccc2C(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is GCVPVZPFKLLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)7-19-9-14-20-8-13(21-14)11-5-3-4-6-12(11)15(16,17)18/h3-6,8,10,19H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63925969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).