3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one

C9H6ClFN2O — CID 103125217

IUPAC3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,(H,12,14)
InChIKeyCKGWFWGUMYQLON-UHFFFAOYSA-N
MW212.61 g/mol
LogP1.96
Rot. Bonds1

About 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one

3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one (PubChem CID 103125217) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
PubChem CID103125217
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,(H,12,14)
InChIKeyCKGWFWGUMYQLON-UHFFFAOYSA-N
XLogP1.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one (CID 103125217) is 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one?
The InChIKey is CKGWFWGUMYQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,(H,12,14).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one?
3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one has a molecular weight of 212.61 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).