1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol

C7H13BrN2O — CID 175822387

IUPAC1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol
SMILESCC(O)N1C=CN(CCBr)C1
InChIInChI=1S/C7H13BrN2O/c1-7(11)10-5-4-9(6-10)3-2-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyBNPGCMOYYUDNEZ-UHFFFAOYSA-N
MW221.10 g/mol
LogP0.77
Rot. Bonds3

About 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol

1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol (PubChem CID 175822387) has the molecular formula C7H13BrN2O and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol
PubChem CID175822387
Molecular FormulaC7H13BrN2O
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol
SMILESCC(O)N1C=CN(CCBr)C1
InChIInChI=1S/C7H13BrN2O/c1-7(11)10-5-4-9(6-10)3-2-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyBNPGCMOYYUDNEZ-UHFFFAOYSA-N
XLogP0.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol 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 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol?
The IUPAC name of 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol (CID 175822387) is 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol.
What is the SMILES notation for 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol?
The canonical SMILES for 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol is CC(O)N1C=CN(CCBr)C1.
What is the InChIKey of 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol?
The InChIKey is BNPGCMOYYUDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O/c1-7(11)10-5-4-9(6-10)3-2-8/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol?
1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol has a molecular weight of 221.10 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol is sourced from PubChem (CID 175822387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).