5-tert-butyl-2-iodo-1-methylimidazole

C8H13IN2 — CID 146377508

IUPAC5-tert-butyl-2-iodo-1-methylimidazole
SMILESCn1c(C(C)(C)C)cnc1I
InChIInChI=1S/C8H13IN2/c1-8(2,3)6-5-10-7(9)11(6)4/h5H,1-4H3
InChIKeyQDNABYPSFMIZMZ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.32
Rot. Bonds

About 5-tert-butyl-2-iodo-1-methylimidazole

5-tert-butyl-2-iodo-1-methylimidazole (PubChem CID 146377508) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 5-tert-butyl-2-iodo-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-2-iodo-1-methylimidazole
PubChem CID146377508
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name5-tert-butyl-2-iodo-1-methylimidazole
SMILESCn1c(C(C)(C)C)cnc1I
InChIInChI=1S/C8H13IN2/c1-8(2,3)6-5-10-7(9)11(6)4/h5H,1-4H3
InChIKeyQDNABYPSFMIZMZ-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.32
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 5-tert-butyl-2-iodo-1-methylimidazole?
The IUPAC name of 5-tert-butyl-2-iodo-1-methylimidazole (CID 146377508) is 5-tert-butyl-2-iodo-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-2-iodo-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-2-iodo-1-methylimidazole is Cn1c(C(C)(C)C)cnc1I.
What is the InChIKey of 5-tert-butyl-2-iodo-1-methylimidazole?
The InChIKey is QDNABYPSFMIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN2/c1-8(2,3)6-5-10-7(9)11(6)4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-2-iodo-1-methylimidazole?
5-tert-butyl-2-iodo-1-methylimidazole has a molecular weight of 264.11 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-iodo-1-methylimidazole is sourced from PubChem (CID 146377508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).