3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one

C11H11BrN2O — CID 107575239

IUPAC3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
SMILESCc1cc(-n2cc[nH]c2=O)cc(C)c1Br
InChIInChI=1S/C11H11BrN2O/c1-7-5-9(6-8(2)10(7)12)14-4-3-13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyGVRXWODPNNFOGS-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.54
Rot. Bonds1

About 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one

3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one (PubChem CID 107575239) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
PubChem CID107575239
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
SMILESCc1cc(-n2cc[nH]c2=O)cc(C)c1Br
InChIInChI=1S/C11H11BrN2O/c1-7-5-9(6-8(2)10(7)12)14-4-3-13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyGVRXWODPNNFOGS-UHFFFAOYSA-N
XLogP2.54
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-1H-imidazol-2-one
CID 112708439
3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
CID 130498049
3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
CID 107590496
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
CID 103124142
3-(4-bromo-3-fluorophenyl)-1H-imidazol-2-one
CID 103124099
3-[4-(methylamino)phenyl]-1H-imidazol-2-one
CID 63089666
3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
CID 103125149
4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione
CID 22424260
3-(2-fluoro-6-methylphenyl)-1H-imidazol-2-one
CID 103126058
3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one
CID 68784221

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one (CID 107575239) is 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one is Cc1cc(-n2cc[nH]c2=O)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one?
The InChIKey is GVRXWODPNNFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-5-9(6-8(2)10(7)12)14-4-3-13-11(14)15/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one?
3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 107575239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).