3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

C10H8ClFN2O2 — CID 91385427

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-4,15H,5H2,(H,13,16)
InChIKeyNCIZBOYPQOEYOW-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.72
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 91385427) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID91385427
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-4,15H,5H2,(H,13,16)
InChIKeyNCIZBOYPQOEYOW-UHFFFAOYSA-N
XLogP1.72
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
1-(2-amino-2-phenylethyl)-3-[(2-chloro-6-fluorophenyl)methyl]-5-(2-fluorophenyl)-1,3,5-triazinane-2,4,6-trione
CID 23449994
1-[(2-chloro-6-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 21282641
3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]pteridine-2,4-dione
CID 27372860
1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569480
3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368967
2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydroxy-3H-isoindol-1-one
CID 25196466

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (CID 91385427) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is O=c1[nH]cc(O)n1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is NCIZBOYPQOEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-4,15H,5H2,(H,13,16).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 242.64 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91385427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).