3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one

C11H11BrN2O — CID 165460470

IUPAC3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one
SMILESCc1ccc(Br)cc1-n1c(C)c[nH]c1=O
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-9(12)5-10(7)14-8(2)6-13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyBMYRVOMGGXQJQO-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.54
Rot. Bonds1

About 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one

3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one (PubChem CID 165460470) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one
PubChem CID165460470
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one
SMILESCc1ccc(Br)cc1-n1c(C)c[nH]c1=O
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-9(12)5-10(7)14-8(2)6-13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyBMYRVOMGGXQJQO-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one (CID 165460470) is 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one is Cc1ccc(Br)cc1-n1c(C)c[nH]c1=O.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one?
The InChIKey is BMYRVOMGGXQJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-3-4-9(12)5-10(7)14-8(2)6-13-11(14)15/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one?
3-(5-bromo-2-methylphenyl)-4-methyl-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-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 165460470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).