1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C11H11F3N2O — CID 112708064

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-15-10(16)17/h1-3,6H,4-5,7H2,(H,15,17)
InChIKeyGKYCXZNAYIKQDF-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.23
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 112708064) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID112708064
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-15-10(16)17/h1-3,6H,4-5,7H2,(H,15,17)
InChIKeyGKYCXZNAYIKQDF-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 134794309
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111
4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 174649113
[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673811
1,5-bis[[3-(trifluoromethyl)phenyl]methyl]-1,5-diazacycloundecan-6-one
CID 102246471
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 112708064) is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is O=C1NCCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is GKYCXZNAYIKQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-15-10(16)17/h1-3,6H,4-5,7H2,(H,15,17).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 112708064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).