2-iodo-1H-imidazole

C3H3IN2 — CID 2773468

IUPAC2-iodo-1H-imidazole
SMILESIc1ncc[nH]1
InChIInChI=1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyMHHDMDLNVVCTAJ-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.01
Rot. Bonds

About 2-iodo-1H-imidazole

2-iodo-1H-imidazole (PubChem CID 2773468) has the molecular formula C3H3IN2 and a molecular weight of 193.98 g/mol. Its IUPAC name is 2-iodo-1H-imidazole.

Molecular Properties

Compound Name2-iodo-1H-imidazole
PubChem CID2773468
Molecular FormulaC3H3IN2
Molecular Weight193.98 g/mol
Exact Mass193.93
IUPAC Name2-iodo-1H-imidazole
SMILESIc1ncc[nH]1
InChIInChI=1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyMHHDMDLNVVCTAJ-UHFFFAOYSA-N
XLogP1.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.01
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 2-iodo-1H-imidazole?
The IUPAC name of 2-iodo-1H-imidazole (CID 2773468) is 2-iodo-1H-imidazole.
What is the SMILES notation for 2-iodo-1H-imidazole?
The canonical SMILES for 2-iodo-1H-imidazole is Ic1ncc[nH]1.
What is the InChIKey of 2-iodo-1H-imidazole?
The InChIKey is MHHDMDLNVVCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6).
What are the key properties of 2-iodo-1H-imidazole?
2-iodo-1H-imidazole has a molecular weight of 193.98 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-imidazole is sourced from PubChem (CID 2773468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).