4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole

C5H7F3N2 — CID 138717728

IUPAC4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESCC1=CNC(C(F)(F)F)N1
InChIInChI=1S/C5H7F3N2/c1-3-2-9-4(10-3)5(6,7)8/h2,4,9-10H,1H3
InChIKeyLIELZSYOLWPCHR-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.93
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole

4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole (PubChem CID 138717728) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
PubChem CID138717728
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESCC1=CNC(C(F)(F)F)N1
InChIInChI=1S/C5H7F3N2/c1-3-2-9-4(10-3)5(6,7)8/h2,4,9-10H,1H3
InChIKeyLIELZSYOLWPCHR-UHFFFAOYSA-N
XLogP0.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trideuterio-5-methyl-1H-imidazole
CID 169087639
3-Methyl-5-(trifluoromethyl)-1,2-dihydroimidazole
CID 123240348
4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 123345542
2,3-Dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole
CID 146878831
2-Ethyl-3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
CID 153621252
4-Methyl-3-(trifluoromethyl)-1,2-dihydroimidazole
CID 156059581
3,5-Dimethyl-2-(trifluoromethyl)-1,2-dihydroimidazole
CID 166850476
2-Methyl-3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
CID 169838471
3-Methyl-4-(trifluoromethyl)-1,2-dihydroimidazole
CID 173057165
4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole
CID 86341778
2-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 154517069
3-Propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
CID 162572546

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole (CID 138717728) is 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole is CC1=CNC(C(F)(F)F)N1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The InChIKey is LIELZSYOLWPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3-2-9-4(10-3)5(6,7)8/h2,4,9-10H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole has a molecular weight of 152.12 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 138717728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).