4,5-dimethyl-2-propyl-1H-imidazole;iodic acid

C8H15IN2O3 — CID 158159579

IUPAC4,5-dimethyl-2-propyl-1H-imidazole;iodic acid
SMILESCCCc1nc(C)c(C)[nH]1.[O-][I+2]([O-])O
InChIInChI=1S/C8H14N2.HIO3/c1-4-5-8-9-6(2)7(3)10-8;2-1(3)4/h4-5H2,1-3H3,(H,9,10);2H
InChIKeyFWCKFGVUPCPZFZ-UHFFFAOYSA-N
MW314.12 g/mol
LogP-3.95
Rot. Bonds2

About 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid

4,5-dimethyl-2-propyl-1H-imidazole;iodic acid (PubChem CID 158159579) has the molecular formula C8H15IN2O3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-propyl-1H-imidazole;iodic acid
PubChem CID158159579
Molecular FormulaC8H15IN2O3
Molecular Weight314.12 g/mol
Exact Mass314.01
IUPAC Name4,5-dimethyl-2-propyl-1H-imidazole;iodic acid
SMILESCCCc1nc(C)c(C)[nH]1.[O-][I+2]([O-])O
InChIInChI=1S/C8H14N2.HIO3/c1-4-5-8-9-6(2)7(3)10-8;2-1(3)4/h4-5H2,1-3H3,(H,9,10);2H
InChIKeyFWCKFGVUPCPZFZ-UHFFFAOYSA-N
XLogP-3.95
TPSA95.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 5-3.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid?
The IUPAC name of 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid (CID 158159579) is 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid.
What is the SMILES notation for 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid?
The canonical SMILES for 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid is CCCc1nc(C)c(C)[nH]1.[O-][I+2]([O-])O.
What is the InChIKey of 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid?
The InChIKey is FWCKFGVUPCPZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.HIO3/c1-4-5-8-9-6(2)7(3)10-8;2-1(3)4/h4-5H2,1-3H3,(H,9,10);2H.
What are the key properties of 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid?
4,5-dimethyl-2-propyl-1H-imidazole;iodic acid has a molecular weight of 314.12 g/mol, XLogP of -3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propyl-1H-imidazole;iodic acid is sourced from PubChem (CID 158159579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).