4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline

C15H12INO — CID 71451875

IUPAC4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
SMILESCNc1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C15H12INO/c1-17-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)18-15/h2-9,17H,1H3/i16-2
InChIKeyZVJGPFOWCIUKQT-RFLHHMENSA-N
MW347.17 g/mol
LogP4.75
Rot. Bonds2

About 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline

4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline (PubChem CID 71451875) has the molecular formula C15H12INO and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline.

Molecular Properties

Compound Name4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
PubChem CID71451875
Molecular FormulaC15H12INO
Molecular Weight347.17 g/mol
Exact Mass347.00
IUPAC Name4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
SMILESCNc1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C15H12INO/c1-17-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)18-15/h2-9,17H,1H3/i16-2
InChIKeyZVJGPFOWCIUKQT-RFLHHMENSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline?
The IUPAC name of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline (CID 71451875) is 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline.
What is the SMILES notation for 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline?
The canonical SMILES for 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline is CNc1ccc(-c2cc3cc([125I])ccc3o2)cc1.
What is the InChIKey of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline?
The InChIKey is ZVJGPFOWCIUKQT-RFLHHMENSA-N. The full InChI is InChI=1S/C15H12INO/c1-17-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)18-15/h2-9,17H,1H3/i16-2.
What are the key properties of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline?
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline has a molecular weight of 347.17 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline is sourced from PubChem (CID 71451875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).