4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one

C11H9BrN2O2 — CID 125492143

IUPAC4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2/c1-6-9(14-11(16)13-6)10(15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,16)
InChIKeyOJQYHSWACPMDSQ-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one

4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 125492143) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID125492143
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2/c1-6-9(14-11(16)13-6)10(15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,16)
InChIKeyOJQYHSWACPMDSQ-UHFFFAOYSA-N
XLogP2.00
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
CID 11119974
4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoyl]-5-methyl-1,3-dihydroimidazol-2-one
CID 10590248
4-(bromomethyl)-5-[4-(dimethylamino)benzoyl]-1,3-dihydroimidazol-2-one
CID 20504006
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 139635569
6-(4-bromobenzoyl)-5-(3,4,5-trimethoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 73294300
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
N,5-dimethyl-2-oxo-1,3-dihydroimidazole-4-carbothioamide
CID 54098815
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one (CID 125492143) is 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is OJQYHSWACPMDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6-9(14-11(16)13-6)10(15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,16).
What are the key properties of 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 281.11 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 125492143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).