4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline

C16H14INO — CID 71457198

IUPAC4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(-c2cc3ccc([125I])cc3o2)cc1
InChIInChI=1S/C16H14INO/c1-18(2)14-7-4-11(5-8-14)15-9-12-3-6-13(17)10-16(12)19-15/h3-10H,1-2H3/i17-2
InChIKeyQMUCQVWPSHXVLW-QZIRHQCUSA-N
MW361.20 g/mol
LogP4.77
Rot. Bonds2

About 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline

4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline (PubChem CID 71457198) has the molecular formula C16H14INO and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline.

Molecular Properties

Compound Name4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
PubChem CID71457198
Molecular FormulaC16H14INO
Molecular Weight361.20 g/mol
Exact Mass361.01
IUPAC Name4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(-c2cc3ccc([125I])cc3o2)cc1
InChIInChI=1S/C16H14INO/c1-18(2)14-7-4-11(5-8-14)15-9-12-3-6-13(17)10-16(12)19-15/h3-10H,1-2H3/i17-2
InChIKeyQMUCQVWPSHXVLW-QZIRHQCUSA-N
XLogP4.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 54.77
H-Bond Donors ≤ 50
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-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The IUPAC name of 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline (CID 71457198) is 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline.
What is the SMILES notation for 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The canonical SMILES for 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline is CN(C)c1ccc(-c2cc3ccc([125I])cc3o2)cc1.
What is the InChIKey of 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The InChIKey is QMUCQVWPSHXVLW-QZIRHQCUSA-N. The full InChI is InChI=1S/C16H14INO/c1-18(2)14-7-4-11(5-8-14)15-9-12-3-6-13(17)10-16(12)19-15/h3-10H,1-2H3/i17-2.
What are the key properties of 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline has a molecular weight of 361.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline is sourced from PubChem (CID 71457198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).