4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C10H8ClFN2O3 — CID 91389986

IUPAC4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C(O)c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C10H8ClFN2O3/c11-5-2-1-4(3-6(5)12)8(15)7-9(16)14-10(17)13-7/h1-3,8,15-16H,(H2,13,14,17)
InChIKeyHFGZTELJBSFIAR-UHFFFAOYSA-N
MW258.64 g/mol
LogP1.28
Rot. Bonds2

About 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 91389986) has the molecular formula C10H8ClFN2O3 and a molecular weight of 258.64 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID91389986
Molecular FormulaC10H8ClFN2O3
Molecular Weight258.64 g/mol
Exact Mass258.02
IUPAC Name4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C(O)c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C10H8ClFN2O3/c11-5-2-1-4(3-6(5)12)8(15)7-9(16)14-10(17)13-7/h1-3,8,15-16H,(H2,13,14,17)
InChIKeyHFGZTELJBSFIAR-UHFFFAOYSA-N
XLogP1.28
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.64
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 91389986) is 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C(O)c2ccc(Cl)c(F)c2)[nH]1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is HFGZTELJBSFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O3/c11-5-2-1-4(3-6(5)12)8(15)7-9(16)14-10(17)13-7/h1-3,8,15-16H,(H2,13,14,17).
What are the key properties of 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 258.64 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91389986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).