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

C9H8FN3O — CID 79961733

IUPAC4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccccc1F
InChIInChI=1S/C9H8FN3O/c10-6-4-2-1-3-5(6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyCXDOVYAXTMMXST-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.95
Rot. Bonds1

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

4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one (PubChem CID 79961733) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
PubChem CID79961733
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccccc1F
InChIInChI=1S/C9H8FN3O/c10-6-4-2-1-3-5(6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyCXDOVYAXTMMXST-UHFFFAOYSA-N
XLogP0.95
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one (CID 79961733) is 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1ccccc1F.
What is the InChIKey of 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one?
The InChIKey is CXDOVYAXTMMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-4-2-1-3-5(6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14).
What are the key properties of 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one has a molecular weight of 193.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79961733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).