2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one

C9H7ClFN3O — CID 82997349

IUPAC2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-4(3-6(5)11)7-8(15)14-9(12)13-7/h1-3,7H,(H3,12,13,14,15)
InChIKeyAEBPUUJDZBVFEP-UHFFFAOYSA-N
MW227.63 g/mol
LogP0.96
Rot. Bonds1

About 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one

2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82997349) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one
PubChem CID82997349
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-4(3-6(5)11)7-8(15)14-9(12)13-7/h1-3,7H,(H3,12,13,14,15)
InChIKeyAEBPUUJDZBVFEP-UHFFFAOYSA-N
XLogP0.96
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one (CID 82997349) is 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one is NC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1.
What is the InChIKey of 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is AEBPUUJDZBVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c10-5-2-1-4(3-6(5)11)7-8(15)14-9(12)13-7/h1-3,7H,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 227.63 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82997349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).