2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

C13H13BrN2O — CID 13337288

IUPAC2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c1-13(2,10-5-3-4-6-11(10)14)12(17)16-8-7-15-9-16/h3-9H,1-2H3
InChIKeyINXZTYFXETXGAS-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.26
Rot. Bonds2

About 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 13337288) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID13337288
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c1-13(2,10-5-3-4-6-11(10)14)12(17)16-8-7-15-9-16/h3-9H,1-2H3
InChIKeyINXZTYFXETXGAS-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (CID 13337288) is 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is CC(C)(C(=O)n1ccnc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is INXZTYFXETXGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-13(2,10-5-3-4-6-11(10)14)12(17)16-8-7-15-9-16/h3-9H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 293.16 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 13337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).