2-bromo-4-(1-ethylimidazol-2-yl)phenol

C11H11BrN2O — CID 136822357

IUPAC2-bromo-4-(1-ethylimidazol-2-yl)phenol
SMILESCCn1ccnc1-c1ccc(O)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-2-14-6-5-13-11(14)8-3-4-10(15)9(12)7-8/h3-7,15H,2H2,1H3
InChIKeyYYXCBGWKZXJBPV-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.04
Rot. Bonds2

About 2-bromo-4-(1-ethylimidazol-2-yl)phenol

2-bromo-4-(1-ethylimidazol-2-yl)phenol (PubChem CID 136822357) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-4-(1-ethylimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(1-ethylimidazol-2-yl)phenol
PubChem CID136822357
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-bromo-4-(1-ethylimidazol-2-yl)phenol
SMILESCCn1ccnc1-c1ccc(O)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-2-14-6-5-13-11(14)8-3-4-10(15)9(12)7-8/h3-7,15H,2H2,1H3
InChIKeyYYXCBGWKZXJBPV-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-(1-ethylimidazol-2-yl)phenol 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-bromo-4-(1-ethylimidazol-2-yl)phenol?
The IUPAC name of 2-bromo-4-(1-ethylimidazol-2-yl)phenol (CID 136822357) is 2-bromo-4-(1-ethylimidazol-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-(1-ethylimidazol-2-yl)phenol?
The canonical SMILES for 2-bromo-4-(1-ethylimidazol-2-yl)phenol is CCn1ccnc1-c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-ethylimidazol-2-yl)phenol?
The InChIKey is YYXCBGWKZXJBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-14-6-5-13-11(14)8-3-4-10(15)9(12)7-8/h3-7,15H,2H2,1H3.
What are the key properties of 2-bromo-4-(1-ethylimidazol-2-yl)phenol?
2-bromo-4-(1-ethylimidazol-2-yl)phenol has a molecular weight of 267.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-ethylimidazol-2-yl)phenol is sourced from PubChem (CID 136822357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).