5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one

C12H11BrFN3O — CID 79967419

IUPAC5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN3O/c1-2-5-17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)6-7/h2-4,6,10H,1,5H2,(H2,15,16,18)
InChIKeyBTANKFHPAZZBCF-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.61
Rot. Bonds3

About 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967419) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967419
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFN3O/c1-2-5-17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)6-7/h2-4,6,10H,1,5H2,(H2,15,16,18)
InChIKeyBTANKFHPAZZBCF-UHFFFAOYSA-N
XLogP2.61
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine
CID 71680845
3-Amino-5-(5-bromo-2-fluoro-phenyl)-1,5-dimethyl-5,6-dihydro-1H-pyrazin-2-one
CID 57514219
(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 117749330
8-Amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
CID 126728919
5-Amino-3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,6-dihydropyrazine-1-carboxylic acid
CID 141299454
1-[(3-Bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
CID 166161699
1-[(3-Bromo-2-fluorophenyl)methyl]imidazolidin-2-one
CID 172388184
1-[2-[(5-Bromo-2-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 61299664
5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one
CID 70580080
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76928211
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76928428
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035990

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79967419) is 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is BTANKFHPAZZBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-5-17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)6-7/h2-4,6,10H,1,5H2,(H2,15,16,18).
What are the key properties of 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 312.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-bromo-4-fluorophenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).