4-iodo-2,5-dimethyl-1H-imidazole

C5H7IN2 — CID 613638

IUPAC4-iodo-2,5-dimethyl-1H-imidazole
SMILESCc1nc(I)c(C)[nH]1
InChIInChI=1S/C5H7IN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8)
InChIKeyGMGMFDAYRXIPQV-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.63
Rot. Bonds

About 4-iodo-2,5-dimethyl-1H-imidazole

4-iodo-2,5-dimethyl-1H-imidazole (PubChem CID 613638) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 4-iodo-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4-iodo-2,5-dimethyl-1H-imidazole
PubChem CID613638
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC Name4-iodo-2,5-dimethyl-1H-imidazole
SMILESCc1nc(I)c(C)[nH]1
InChIInChI=1S/C5H7IN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8)
InChIKeyGMGMFDAYRXIPQV-UHFFFAOYSA-N
XLogP1.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,5-dimethyl-1H-imidazole?
The IUPAC name of 4-iodo-2,5-dimethyl-1H-imidazole (CID 613638) is 4-iodo-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4-iodo-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 4-iodo-2,5-dimethyl-1H-imidazole is Cc1nc(I)c(C)[nH]1.
What is the InChIKey of 4-iodo-2,5-dimethyl-1H-imidazole?
The InChIKey is GMGMFDAYRXIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8).
What are the key properties of 4-iodo-2,5-dimethyl-1H-imidazole?
4-iodo-2,5-dimethyl-1H-imidazole has a molecular weight of 222.03 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 613638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).