1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole

C6H9F3N2 — CID 139564029

IUPAC1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCC1CN=C(C(F)(F)F)N1C
InChIInChI=1S/C6H9F3N2/c1-4-3-10-5(11(4)2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyOTYIUVMRKYDEOM-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.28
Rot. Bonds

About 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole

1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 139564029) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID139564029
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCC1CN=C(C(F)(F)F)N1C
InChIInChI=1S/C6H9F3N2/c1-4-3-10-5(11(4)2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyOTYIUVMRKYDEOM-UHFFFAOYSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole (CID 139564029) is 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole is CC1CN=C(C(F)(F)F)N1C.
What is the InChIKey of 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is OTYIUVMRKYDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-3-10-5(11(4)2)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole?
1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 166.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 139564029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).