1-(2,2-dimethylpropyl)-4-iodoimidazole

C8H13IN2 — CID 58204875

IUPAC1-(2,2-dimethylpropyl)-4-iodoimidazole
SMILESCC(C)(C)Cn1cnc(I)c1
InChIInChI=1S/C8H13IN2/c1-8(2,3)5-11-4-7(9)10-6-11/h4,6H,5H2,1-3H3
InChIKeyZQMVJKVJWQKMST-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.53
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-4-iodoimidazole

1-(2,2-dimethylpropyl)-4-iodoimidazole (PubChem CID 58204875) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-iodoimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-iodoimidazole
PubChem CID58204875
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name1-(2,2-dimethylpropyl)-4-iodoimidazole
SMILESCC(C)(C)Cn1cnc(I)c1
InChIInChI=1S/C8H13IN2/c1-8(2,3)5-11-4-7(9)10-6-11/h4,6H,5H2,1-3H3
InChIKeyZQMVJKVJWQKMST-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.53
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-(2,2-dimethylpropyl)-4-iodoimidazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-iodoimidazole (CID 58204875) is 1-(2,2-dimethylpropyl)-4-iodoimidazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-iodoimidazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-iodoimidazole is CC(C)(C)Cn1cnc(I)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-iodoimidazole?
The InChIKey is ZQMVJKVJWQKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN2/c1-8(2,3)5-11-4-7(9)10-6-11/h4,6H,5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-iodoimidazole?
1-(2,2-dimethylpropyl)-4-iodoimidazole has a molecular weight of 264.11 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-iodoimidazole is sourced from PubChem (CID 58204875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).