1-butyl-2-iodoimidazole

C7H11IN2 — CID 69317070

IUPAC1-butyl-2-iodoimidazole
SMILESCCCCn1ccnc1I
InChIInChI=1S/C7H11IN2/c1-2-3-5-10-6-4-9-7(10)8/h4,6H,2-3,5H2,1H3
InChIKeyZAYOQEZTUQSGQF-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.29
Rot. Bonds3

About 1-butyl-2-iodoimidazole

1-butyl-2-iodoimidazole (PubChem CID 69317070) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1-butyl-2-iodoimidazole.

Molecular Properties

Compound Name1-butyl-2-iodoimidazole
PubChem CID69317070
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1-butyl-2-iodoimidazole
SMILESCCCCn1ccnc1I
InChIInChI=1S/C7H11IN2/c1-2-3-5-10-6-4-9-7(10)8/h4,6H,2-3,5H2,1H3
InChIKeyZAYOQEZTUQSGQF-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butylimidazol-2-amine
CID 60860613
2-(2-iodoimidazol-1-yl)ethanol
CID 126999372
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-butyl-2-pyrrol-1-ylimidazole
CID 174873943
1-pentylimidazol-2-amine
CID 61354351
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-N-methylimidazol-2-amine
CID 57016020

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-iodoimidazole?
The IUPAC name of 1-butyl-2-iodoimidazole (CID 69317070) is 1-butyl-2-iodoimidazole.
What is the SMILES notation for 1-butyl-2-iodoimidazole?
The canonical SMILES for 1-butyl-2-iodoimidazole is CCCCn1ccnc1I.
What is the InChIKey of 1-butyl-2-iodoimidazole?
The InChIKey is ZAYOQEZTUQSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-2-3-5-10-6-4-9-7(10)8/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-butyl-2-iodoimidazole?
1-butyl-2-iodoimidazole has a molecular weight of 250.08 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-iodoimidazole is sourced from PubChem (CID 69317070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).