5-iodo-1-(4-iodophenyl)benzimidazol-2-amine

C13H9I2N3 — CID 66082572

IUPAC5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc(I)cc1
InChIInChI=1S/C13H9I2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyAEBFCTLJUYSBPE-UHFFFAOYSA-N
MW461.04 g/mol
LogP3.82
Rot. Bonds1

About 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine

5-iodo-1-(4-iodophenyl)benzimidazol-2-amine (PubChem CID 66082572) has the molecular formula C13H9I2N3 and a molecular weight of 461.04 g/mol. Its IUPAC name is 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
PubChem CID66082572
Molecular FormulaC13H9I2N3
Molecular Weight461.04 g/mol
Exact Mass460.89
IUPAC Name5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc(I)cc1
InChIInChI=1S/C13H9I2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyAEBFCTLJUYSBPE-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.04
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine (CID 66082572) is 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine is Nc1nc2cc(I)ccc2n1-c1ccc(I)cc1.
What is the InChIKey of 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine?
The InChIKey is AEBFCTLJUYSBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9I2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine?
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine has a molecular weight of 461.04 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(4-iodophenyl)benzimidazol-2-amine is sourced from PubChem (CID 66082572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).