5-(2-iodophenyl)-1-methylimidazole

C10H9IN2 — CID 46846743

IUPAC5-(2-iodophenyl)-1-methylimidazole
SMILESCn1cncc1-c1ccccc1I
InChIInChI=1S/C10H9IN2/c1-13-7-12-6-10(13)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyFBHHUUIBUDLRGN-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.69
Rot. Bonds1

About 5-(2-iodophenyl)-1-methylimidazole

5-(2-iodophenyl)-1-methylimidazole (PubChem CID 46846743) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 5-(2-iodophenyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(2-iodophenyl)-1-methylimidazole
PubChem CID46846743
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name5-(2-iodophenyl)-1-methylimidazole
SMILESCn1cncc1-c1ccccc1I
InChIInChI=1S/C10H9IN2/c1-13-7-12-6-10(13)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyFBHHUUIBUDLRGN-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(2-phenylphenyl)imidazole
CID 50949205
1-methyl-5-[2-methyl-3-(2-methylphenyl)phenyl]imidazole
CID 138747000
1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine
CID 115028406
8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 68510837
4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312804
2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol
CID 156859171
2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine
CID 175944759
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine
CID 165493614
2-(2-iodophenyl)-1,3-dimethylpyrrole
CID 144995528
5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole
CID 118026717
5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin
CID 67022249

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodophenyl)-1-methylimidazole?
The IUPAC name of 5-(2-iodophenyl)-1-methylimidazole (CID 46846743) is 5-(2-iodophenyl)-1-methylimidazole.
What is the SMILES notation for 5-(2-iodophenyl)-1-methylimidazole?
The canonical SMILES for 5-(2-iodophenyl)-1-methylimidazole is Cn1cncc1-c1ccccc1I.
What is the InChIKey of 5-(2-iodophenyl)-1-methylimidazole?
The InChIKey is FBHHUUIBUDLRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-13-7-12-6-10(13)8-4-2-3-5-9(8)11/h2-7H,1H3.
What are the key properties of 5-(2-iodophenyl)-1-methylimidazole?
5-(2-iodophenyl)-1-methylimidazole has a molecular weight of 284.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-1-methylimidazole is sourced from PubChem (CID 46846743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).