4-(trifluoromethyl)-1,3-dihydroimidazol-2-one

C4H3F3N2O — CID 105429643

IUPAC4-(trifluoromethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyCJHSSXNBDDQISS-UHFFFAOYSA-N
MW152.07 g/mol
LogP0.72
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one

4-(trifluoromethyl)-1,3-dihydroimidazol-2-one (PubChem CID 105429643) has the molecular formula C4H3F3N2O and a molecular weight of 152.07 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dihydroimidazol-2-one
PubChem CID105429643
Molecular FormulaC4H3F3N2O
Molecular Weight152.07 g/mol
Exact Mass152.02
IUPAC Name4-(trifluoromethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyCJHSSXNBDDQISS-UHFFFAOYSA-N
XLogP0.72
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one (CID 105429643) is 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is CJHSSXNBDDQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10).
What are the key properties of 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
4-(trifluoromethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 152.07 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105429643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).