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'}

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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).