1-(4-bromophenyl)-2-imidazol-1-ylethanone

C11H9BrN2O — CID 13282604

IUPAC1-(4-bromophenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
InChIKeyYTZCOVPVCBETSO-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-bromophenyl)-2-imidazol-1-ylethanone

1-(4-bromophenyl)-2-imidazol-1-ylethanone (PubChem CID 13282604) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-imidazol-1-ylethanone
PubChem CID13282604
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name1-(4-bromophenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
InChIKeyYTZCOVPVCBETSO-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-ylethanone (CID 13282604) is 1-(4-bromophenyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-imidazol-1-ylethanone?
The InChIKey is YTZCOVPVCBETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2.
What are the key properties of 1-(4-bromophenyl)-2-imidazol-1-ylethanone?
1-(4-bromophenyl)-2-imidazol-1-ylethanone has a molecular weight of 265.11 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 13282604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).