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

C12H11BrFN3O — CID 82999215

IUPAC4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-6(1-4-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyDZRNZGANZKANTP-UHFFFAOYSA-N
MW312.14 g/mol
LogP1.87
Rot. Bonds2

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

4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82999215) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82999215
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-6(1-4-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyDZRNZGANZKANTP-UHFFFAOYSA-N
XLogP1.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Bromo-4-fluorophenyl)imidazolidine-2,4-dione
CID 16784493
2-amino-4-(4-bromophenyl)-4,5-dihydro-1H-imidazol-5-one
CID 82996106
2-Amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 57844412
2-Amino-5-(5-bromo-2-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
CID 57844733
2-Amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one
CID 59388173
2-Amino-5-(3-bromo-4-fluorophenyl)-3,5-dimethylimidazol-4-one
CID 59388284
2-Amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
CID 59388535
2-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzamide
CID 70609776
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one
CID 70822455
2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one
CID 77929165
3-(3-bromo-4-fluorophenyl)-N-(diaminomethylidene)aziridine-2-carboxamide
CID 146033812
2-amino-4-(1-amino-3-propan-2-yliminoprop-1-en-2-yl)-4-(3-bromo-4-fluorophenyl)-1H-imidazol-5-one
CID 173499624

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82999215) is 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is DZRNZGANZKANTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-8-5-6(1-4-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18).
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 312.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).