1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one

C12H10BrF3N2O2 — CID 90690545

IUPAC1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1CC(F)(F)F
InChIInChI=1S/C12H10BrF3N2O2/c13-9-3-1-8(2-4-9)5-17-6-10(19)18(11(17)20)7-12(14,15)16/h1-4,6,19H,5,7H2
InChIKeyKGSAVMLFOGHGDG-UHFFFAOYSA-N
MW351.12 g/mol
LogP2.73
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one

1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one (PubChem CID 90690545) has the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one
PubChem CID90690545
Molecular FormulaC12H10BrF3N2O2
Molecular Weight351.12 g/mol
Exact Mass349.99
IUPAC Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1CC(F)(F)F
InChIInChI=1S/C12H10BrF3N2O2/c13-9-3-1-8(2-4-9)5-17-6-10(19)18(11(17)20)7-12(14,15)16/h1-4,6,19H,5,7H2
InChIKeyKGSAVMLFOGHGDG-UHFFFAOYSA-N
XLogP2.73
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Bromophenyl)-1,3-dihydro-2H-imidazol-2-one
CID 13149226
3-(2-Bromobenzyl)-imidazolone
CID 102280401
3-[(4-Bromo-3-fluorophenyl)methyl]-1-methyl-1-prop-2-enylurea
CID 91661468
(4-Bromophenyl)methyl-(3-fluoropropyl)carbamic acid
CID 21907437
1-[(4-Bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62491163
1-[(4-Bromophenyl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 66813401
N'-(4-bromo-2-fluorobenzyl)-N,N-dimethylurea
CID 67225137
1-[(4-Bromophenyl)methyl]-3-(2,2-difluoroethyl)imidazolidine-2,4-dione
CID 87165779
1-[(2-Fluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one
CID 90917778
1-[(2,4-Difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one
CID 90970377
1-[(4-Bromophenyl)methyl]-3-(2,2-difluoroethyl)-4-hydroxyimidazol-2-one
CID 91501937
2-(2-Bromo-4-fluorophenyl)-1,2-dihydroimidazole-3-carboxamide
CID 142717915

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one (CID 90690545) is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one is O=c1n(Cc2ccc(Br)cc2)cc(O)n1CC(F)(F)F.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The InChIKey is KGSAVMLFOGHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2/c13-9-3-1-8(2-4-9)5-17-6-10(19)18(11(17)20)7-12(14,15)16/h1-4,6,19H,5,7H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one?
1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one has a molecular weight of 351.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(2,2,2-trifluoroethyl)imidazol-2-one is sourced from PubChem (CID 90690545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).