4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one

C11H11ClFN3O — CID 79959258

IUPAC4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one
SMILESCN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O/c1-11(9(14)15-10(17)16(11)2)7-4-3-6(13)5-8(7)12/h3-5H,1-2H3,(H2,14,15,17)
InChIKeyKWALCCOYDOIKRD-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.12
Rot. Bonds1

About 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one

4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one (PubChem CID 79959258) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one
PubChem CID79959258
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one
SMILESCN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O/c1-11(9(14)15-10(17)16(11)2)7-4-3-6(13)5-8(7)12/h3-5H,1-2H3,(H2,14,15,17)
InChIKeyKWALCCOYDOIKRD-UHFFFAOYSA-N
XLogP2.12
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one?
The IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one (CID 79959258) is 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one is CN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl.
What is the InChIKey of 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one?
The InChIKey is KWALCCOYDOIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-11(9(14)15-10(17)16(11)2)7-4-3-6(13)5-8(7)12/h3-5H,1-2H3,(H2,14,15,17).
What are the key properties of 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one?
4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one has a molecular weight of 255.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-one is sourced from PubChem (CID 79959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).