1-iodo-2-propylimidazole

C6H9IN2 — CID 139936657

IUPAC1-iodo-2-propylimidazole
SMILESCCCc1nccn1I
InChIInChI=1S/C6H9IN2/c1-2-3-6-8-4-5-9(6)7/h4-5H,2-3H2,1H3
InChIKeySJDBPTFIJSCONL-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.03
Rot. Bonds2

About 1-iodo-2-propylimidazole

1-iodo-2-propylimidazole (PubChem CID 139936657) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-iodo-2-propylimidazole.

Molecular Properties

Compound Name1-iodo-2-propylimidazole
PubChem CID139936657
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name1-iodo-2-propylimidazole
SMILESCCCc1nccn1I
InChIInChI=1S/C6H9IN2/c1-2-3-6-8-4-5-9(6)7/h4-5H,2-3H2,1H3
InChIKeySJDBPTFIJSCONL-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-propylimidazole?
The IUPAC name of 1-iodo-2-propylimidazole (CID 139936657) is 1-iodo-2-propylimidazole.
What is the SMILES notation for 1-iodo-2-propylimidazole?
The canonical SMILES for 1-iodo-2-propylimidazole is CCCc1nccn1I.
What is the InChIKey of 1-iodo-2-propylimidazole?
The InChIKey is SJDBPTFIJSCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-2-3-6-8-4-5-9(6)7/h4-5H,2-3H2,1H3.
What are the key properties of 1-iodo-2-propylimidazole?
1-iodo-2-propylimidazole has a molecular weight of 236.06 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-propylimidazole is sourced from PubChem (CID 139936657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).