2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one

C10H8ClFN2O — CID 106951981

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H8ClFN2O/c11-7-2-1-3-8(12)6(7)4-9-13-5-10(15)14-9/h1-3H,4-5H2,(H,13,14,15)
InChIKeyPGWADLXDYVNBKM-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.55
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one

2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951981) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
PubChem CID106951981
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H8ClFN2O/c11-7-2-1-3-8(12)6(7)4-9-13-5-10(15)14-9/h1-3H,4-5H2,(H,13,14,15)
InChIKeyPGWADLXDYVNBKM-UHFFFAOYSA-N
XLogP1.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Chloro-phenyl)-ethyl]-4,5-dihydro-1H-imidazole
CID 25034501
2-(2-Chlorophenyl)methyl-imidazoline
CID 521532
4(1H)-Pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro-
CID 3072549
2-(2-Chloro-6-fluoro-3-methyl-benzyl)-4,5-dihydro-1H-imidazole
CID 58951724
2-(2-Chloro-6-fluoro-benzyl)-4,5-dihydro-1H-imidazole
CID 58951774
2-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951797
2-[(2-Chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one
CID 141138584
3-[(2-chloro-6-fluorophenyl)methyl]-4H-1,2,4-thiadiazol-5-one
CID 146385637
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 55217596
2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 63023513
2-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 63034213
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63612594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one (CID 106951981) is 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(Cc2c(F)cccc2Cl)N1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The InChIKey is PGWADLXDYVNBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-7-2-1-3-8(12)6(7)4-9-13-5-10(15)14-9/h1-3H,4-5H2,(H,13,14,15).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one has a molecular weight of 226.64 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).