2-iodo-1-phenylmethoxyimidazole

C10H9IN2O — CID 5325030

IUPAC2-iodo-1-phenylmethoxyimidazole
SMILESIc1nccn1OCc1ccccc1
InChIInChI=1S/C10H9IN2O/c11-10-12-6-7-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRGSBQSHUUHHEJF-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.12
Rot. Bonds3

About 2-iodo-1-phenylmethoxyimidazole

2-iodo-1-phenylmethoxyimidazole (PubChem CID 5325030) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-iodo-1-phenylmethoxyimidazole.

Molecular Properties

Compound Name2-iodo-1-phenylmethoxyimidazole
PubChem CID5325030
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name2-iodo-1-phenylmethoxyimidazole
SMILESIc1nccn1OCc1ccccc1
InChIInChI=1S/C10H9IN2O/c11-10-12-6-7-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRGSBQSHUUHHEJF-UHFFFAOYSA-N
XLogP2.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxypyrazin-2-one
CID 685465
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
CID 54119422
[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium
CID 132837853
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 71302995
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
1-phenylmethoxyindole-5,6-diol
CID 69255647
phenylmethoxygallane
CID 173378988
1-phenylmethoxy-1,2,4-triazolidine
CID 174937405
benzyl 2-propylimidazole-1-carboxylate
CID 67949202
3-iodo-2-phenylmethoxypyridin-4-amine
CID 127263634

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-phenylmethoxyimidazole?
The IUPAC name of 2-iodo-1-phenylmethoxyimidazole (CID 5325030) is 2-iodo-1-phenylmethoxyimidazole.
What is the SMILES notation for 2-iodo-1-phenylmethoxyimidazole?
The canonical SMILES for 2-iodo-1-phenylmethoxyimidazole is Ic1nccn1OCc1ccccc1.
What is the InChIKey of 2-iodo-1-phenylmethoxyimidazole?
The InChIKey is RGSBQSHUUHHEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-10-12-6-7-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-iodo-1-phenylmethoxyimidazole?
2-iodo-1-phenylmethoxyimidazole has a molecular weight of 300.10 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-phenylmethoxyimidazole is sourced from PubChem (CID 5325030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).