2-[(2-iodophenoxy)methyl]-1H-imidazole

C10H9IN2O — CID 54027628

IUPAC2-[(2-iodophenoxy)methyl]-1H-imidazole
SMILESIc1ccccc1OCc1ncc[nH]1
InChIInChI=1S/C10H9IN2O/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-6H,7H2,(H,12,13)
InChIKeyLDIMGXAHRKYYKH-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.59
Rot. Bonds3

About 2-[(2-iodophenoxy)methyl]-1H-imidazole

2-[(2-iodophenoxy)methyl]-1H-imidazole (PubChem CID 54027628) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-[(2-iodophenoxy)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-iodophenoxy)methyl]-1H-imidazole
PubChem CID54027628
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name2-[(2-iodophenoxy)methyl]-1H-imidazole
SMILESIc1ccccc1OCc1ncc[nH]1
InChIInChI=1S/C10H9IN2O/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-6H,7H2,(H,12,13)
InChIKeyLDIMGXAHRKYYKH-UHFFFAOYSA-N
XLogP2.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-iodophenoxy)methyl]-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
CID 117187213
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 78990444
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
4-[[2-(1H-imidazol-2-ylmethyl)phenoxy]methyl]benzonitrile
CID 70478494
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
2-chloro-5-(1H-imidazol-2-ylmethoxy)pyridine
CID 130604271
3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
CID 104514189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenoxy)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-iodophenoxy)methyl]-1H-imidazole (CID 54027628) is 2-[(2-iodophenoxy)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-iodophenoxy)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-iodophenoxy)methyl]-1H-imidazole is Ic1ccccc1OCc1ncc[nH]1.
What is the InChIKey of 2-[(2-iodophenoxy)methyl]-1H-imidazole?
The InChIKey is LDIMGXAHRKYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-6H,7H2,(H,12,13).
What are the key properties of 2-[(2-iodophenoxy)methyl]-1H-imidazole?
2-[(2-iodophenoxy)methyl]-1H-imidazole has a molecular weight of 300.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenoxy)methyl]-1H-imidazole is sourced from PubChem (CID 54027628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).