2-benzyl-1H-imidazole;iodic acid

C10H11IN2O3 — CID 158114999

IUPAC2-benzyl-1H-imidazole;iodic acid
SMILES[O-][I+2]([O-])O.c1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2.HIO3/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;2-1(3)4/h1-7H,8H2,(H,11,12);2H
InChIKeyFQWUYMPPEYRDCO-UHFFFAOYSA-N
MW334.11 g/mol
LogP-3.93
Rot. Bonds2

About 2-benzyl-1H-imidazole;iodic acid

2-benzyl-1H-imidazole;iodic acid (PubChem CID 158114999) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is 2-benzyl-1H-imidazole;iodic acid.

Molecular Properties

Compound Name2-benzyl-1H-imidazole;iodic acid
PubChem CID158114999
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name2-benzyl-1H-imidazole;iodic acid
SMILES[O-][I+2]([O-])O.c1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2.HIO3/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;2-1(3)4/h1-7H,8H2,(H,11,12);2H
InChIKeyFQWUYMPPEYRDCO-UHFFFAOYSA-N
XLogP-3.93
TPSA95.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 5-3.93
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 2-benzyl-1H-imidazole;iodic acid?
The IUPAC name of 2-benzyl-1H-imidazole;iodic acid (CID 158114999) is 2-benzyl-1H-imidazole;iodic acid.
What is the SMILES notation for 2-benzyl-1H-imidazole;iodic acid?
The canonical SMILES for 2-benzyl-1H-imidazole;iodic acid is [O-][I+2]([O-])O.c1ccc(Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-benzyl-1H-imidazole;iodic acid?
The InChIKey is FQWUYMPPEYRDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.HIO3/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;2-1(3)4/h1-7H,8H2,(H,11,12);2H.
What are the key properties of 2-benzyl-1H-imidazole;iodic acid?
2-benzyl-1H-imidazole;iodic acid has a molecular weight of 334.11 g/mol, XLogP of -3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-imidazole;iodic acid is sourced from PubChem (CID 158114999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).