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

C9H7F2N3O — CID 82996873

IUPAC2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cccc(F)c2F)C(=O)N1
InChIInChI=1S/C9H7F2N3O/c10-5-3-1-2-4(6(5)11)7-8(15)14-9(12)13-7/h1-3,7H,(H3,12,13,14,15)
InChIKeyCBJAKDYQINDDCY-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.45
Rot. Bonds1

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

2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82996873) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
PubChem CID82996873
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cccc(F)c2F)C(=O)N1
InChIInChI=1S/C9H7F2N3O/c10-5-3-1-2-4(6(5)11)7-8(15)14-9(12)13-7/h1-3,7H,(H3,12,13,14,15)
InChIKeyCBJAKDYQINDDCY-UHFFFAOYSA-N
XLogP0.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-fluorophenyl)-1,4-dihydroimidazol-5-one
CID 82996105
2-amino-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
CID 82996740
2-amino-4-(4-fluoro-3-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82997241
2-amino-4-(4-chloro-3-fluorophenyl)-1,4-dihydroimidazol-5-one
CID 82997349
2-(tert-butylamino)-4-(2-fluorophenyl)-1,4-dihydroimidazol-5-one
CID 82998276
5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388629
2-amino-4-(6-methyl-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 104824181
3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
CID 126633706
2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
CID 83093819
5-(2,3-difluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510039
4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 22621516
2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one
CID 82997357

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one (CID 82996873) is 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one is NC1=NC(c2cccc(F)c2F)C(=O)N1.
What is the InChIKey of 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is CBJAKDYQINDDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-5-3-1-2-4(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-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 211.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).