1-cyclobutyl-4-iodoimidazole

C7H9IN2 — CID 135150752

IUPAC1-cyclobutyl-4-iodoimidazole
SMILESIc1cn(C2CCC2)cn1
InChIInChI=1S/C7H9IN2/c8-7-4-10(5-9-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyMVZRRESLJHNZFN-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.21
Rot. Bonds1

About 1-cyclobutyl-4-iodoimidazole

1-cyclobutyl-4-iodoimidazole (PubChem CID 135150752) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 1-cyclobutyl-4-iodoimidazole.

Molecular Properties

Compound Name1-cyclobutyl-4-iodoimidazole
PubChem CID135150752
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name1-cyclobutyl-4-iodoimidazole
SMILESIc1cn(C2CCC2)cn1
InChIInChI=1S/C7H9IN2/c8-7-4-10(5-9-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyMVZRRESLJHNZFN-UHFFFAOYSA-N
XLogP2.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-4-iodoimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-4-(trifluoromethyl)imidazole
CID 176717540
(1-cyclopentylimidazol-4-yl)methanol
CID 130482080
5-amino-1-cyclopentylpyrimidin-4-one
CID 115114540
1-cyclohexylimidazole-4-sulfonamide
CID 81340652
1-(oxan-4-yl)imidazol-4-amine
CID 66520755
4-bromo-1-(3-methylcyclohexyl)imidazole
CID 165446237
(1-cyclopropylimidazol-4-yl)methanol
CID 126974076
[1-(oxan-4-yl)imidazol-4-yl]methanamine
CID 130481927
2-amino-2-(1-cyclohexylimidazol-4-yl)ethanol
CID 83884637
1-(1-cyclohexylimidazol-4-yl)propan-2-amine
CID 83883478
1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
CID 83889565
2-(1-cyclopentylimidazol-4-yl)propanoic acid
CID 83883845

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-iodoimidazole?
The IUPAC name of 1-cyclobutyl-4-iodoimidazole (CID 135150752) is 1-cyclobutyl-4-iodoimidazole.
What is the SMILES notation for 1-cyclobutyl-4-iodoimidazole?
The canonical SMILES for 1-cyclobutyl-4-iodoimidazole is Ic1cn(C2CCC2)cn1.
What is the InChIKey of 1-cyclobutyl-4-iodoimidazole?
The InChIKey is MVZRRESLJHNZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c8-7-4-10(5-9-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 1-cyclobutyl-4-iodoimidazole?
1-cyclobutyl-4-iodoimidazole has a molecular weight of 248.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-iodoimidazole is sourced from PubChem (CID 135150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).