4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one

C13H14BrN3O2 — CID 20504006

IUPAC4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)c1ccc(C(=O)c2[nH]c(=O)[nH]c2CBr)cc1
InChIInChI=1S/C13H14BrN3O2/c1-17(2)9-5-3-8(4-6-9)12(18)11-10(7-14)15-13(19)16-11/h3-6H,7H2,1-2H3,(H2,15,16,19)
InChIKeyZEXSBOWPLVHQEF-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.89
Rot. Bonds4

About 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one

4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one (PubChem CID 20504006) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one
PubChem CID20504006
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)c1ccc(C(=O)c2[nH]c(=O)[nH]c2CBr)cc1
InChIInChI=1S/C13H14BrN3O2/c1-17(2)9-5-3-8(4-6-9)12(18)11-10(7-14)15-13(19)16-11/h3-6H,7H2,1-2H3,(H2,15,16,19)
InChIKeyZEXSBOWPLVHQEF-UHFFFAOYSA-N
XLogP1.89
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 20510970
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 125492143
2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione
CID 10570568
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
5-[4-(dimethylamino)benzoyl]-1H-pyrrole-2-carbaldehyde
CID 82386999
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one
CID 19958425
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one (CID 20504006) is 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one is CN(C)c1ccc(C(=O)c2[nH]c(=O)[nH]c2CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one?
The InChIKey is ZEXSBOWPLVHQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-17(2)9-5-3-8(4-6-9)12(18)11-10(7-14)15-13(19)16-11/h3-6H,7H2,1-2H3,(H2,15,16,19).
What are the key properties of 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one?
4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one has a molecular weight of 324.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 20504006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).