1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one

C17H13F3N2O2 — CID 13020007

IUPAC1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1=O
InChIInChI=1S/C17H13F3N2O2/c1-21-9-10-22(16(21)23)13-5-7-14(8-6-13)24-15-4-2-3-12(11-15)17(18,19)20/h2-11H,1H3
InChIKeyGEKYYOGOXHBXIS-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.99
Rot. Bonds3

About 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one

1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one (PubChem CID 13020007) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
PubChem CID13020007
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1=O
InChIInChI=1S/C17H13F3N2O2/c1-21-9-10-22(16(21)23)13-5-7-14(8-6-13)24-15-4-2-3-12(11-15)17(18,19)20/h2-11H,1H3
InChIKeyGEKYYOGOXHBXIS-UHFFFAOYSA-N
XLogP3.99
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 88774797
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495
2-chloro-1-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]benzene
CID 163899955
CID 71146552
CID 71146552
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
2-fluoro-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 154354047
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 86737876

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one (CID 13020007) is 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one is Cn1ccn(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one?
The InChIKey is GEKYYOGOXHBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-21-9-10-22(16(21)23)13-5-7-14(8-6-13)24-15-4-2-3-12(11-15)17(18,19)20/h2-11H,1H3.
What are the key properties of 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one?
1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one has a molecular weight of 334.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one is sourced from PubChem (CID 13020007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).