2-imidazol-1-yl-1-phenylethanone;hydrobromide

C11H11BrN2O — CID 45260752

IUPAC2-imidazol-1-yl-1-phenylethanone;hydrobromide
SMILESBr.O=C(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H10N2O.BrH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9H,8H2;1H
InChIKeyFTRIOYOCOHLXRP-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.34
Rot. Bonds3

About 2-imidazol-1-yl-1-phenylethanone;hydrobromide

2-imidazol-1-yl-1-phenylethanone;hydrobromide (PubChem CID 45260752) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-imidazol-1-yl-1-phenylethanone;hydrobromide
PubChem CID45260752
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-imidazol-1-yl-1-phenylethanone;hydrobromide
SMILESBr.O=C(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H10N2O.BrH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9H,8H2;1H
InChIKeyFTRIOYOCOHLXRP-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-1-phenylethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-phenylethanone;hydrobromide?
The IUPAC name of 2-imidazol-1-yl-1-phenylethanone;hydrobromide (CID 45260752) is 2-imidazol-1-yl-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-imidazol-1-yl-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-imidazol-1-yl-1-phenylethanone;hydrobromide is Br.O=C(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 2-imidazol-1-yl-1-phenylethanone;hydrobromide?
The InChIKey is FTRIOYOCOHLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.BrH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9H,8H2;1H.
What are the key properties of 2-imidazol-1-yl-1-phenylethanone;hydrobromide?
2-imidazol-1-yl-1-phenylethanone;hydrobromide has a molecular weight of 267.13 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-phenylethanone;hydrobromide is sourced from PubChem (CID 45260752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).