2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole

C5H7F3N2 — CID 142566329

IUPAC2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(C(F)(F)F)N1
InChIInChI=1S/C5H7F3N2/c1-3-9-2-4(10-3)5(6,7)8/h4H,2H2,1H3,(H,9,10)
InChIKeyYGALJGRKELSUDS-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.94
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole

2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole (PubChem CID 142566329) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole
PubChem CID142566329
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(C(F)(F)F)N1
InChIInChI=1S/C5H7F3N2/c1-3-9-2-4(10-3)5(6,7)8/h4H,2H2,1H3,(H,9,10)
InChIKeyYGALJGRKELSUDS-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole (CID 142566329) is 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole is CC1=NCC(C(F)(F)F)N1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is YGALJGRKELSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3-9-2-4(10-3)5(6,7)8/h4H,2H2,1H3,(H,9,10).
What are the key properties of 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole?
2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 152.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 142566329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).