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

C9H8FN3O — CID 82996105

IUPAC2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-5(4-6)7-8(14)13-9(11)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyPNAAJIPKPQRZSU-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.31
Rot. Bonds1

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

2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82996105) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one
PubChem CID82996105
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-5(4-6)7-8(14)13-9(11)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyPNAAJIPKPQRZSU-UHFFFAOYSA-N
XLogP0.31
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one (CID 82996105) is 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one is NC1=NC(c2cccc(F)c2)C(=O)N1.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is PNAAJIPKPQRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-3-1-2-5(4-6)7-8(14)13-9(11)12-7/h1-4,7H,(H3,11,12,13,14).
What are the key properties of 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 193.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).