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

C16H14INO — CID 71462568

IUPAC4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C16H14INO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3/i17-2
InChIKeyXHGHCGPWSCLUGT-QZIRHQCUSA-N
MW361.20 g/mol
LogP4.77
Rot. Bonds2

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

4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline (PubChem CID 71462568) has the molecular formula C16H14INO and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline.

Molecular Properties

Compound Name4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
PubChem CID71462568
Molecular FormulaC16H14INO
Molecular Weight361.20 g/mol
Exact Mass361.01
IUPAC Name4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(-c2cc3cc([125I])ccc3o2)cc1
InChIInChI=1S/C16H14INO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3/i17-2
InChIKeyXHGHCGPWSCLUGT-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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Related Compounds

3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
Acetamide, N-3-dibenzofuranyl-
CID 22087
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
[4-(dimethylamino)phenyl](2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10110088
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline
CID 54586251
4-(1-Benzofuran-2-yl)aniline
CID 720692
5-Hydroxy-2-(4-dimethylaminophenyl)benzofuran
CID 11543378
5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
5-Methoxy-2-(4-methylaminophenyl)benzofuran
CID 11708629
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198

Frequently Asked Questions

What is the IUPAC name of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The IUPAC name of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline (CID 71462568) is 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline.
What is the SMILES notation for 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The canonical SMILES for 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline is CN(C)c1ccc(-c2cc3cc([125I])ccc3o2)cc1.
What is the InChIKey of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
The InChIKey is XHGHCGPWSCLUGT-QZIRHQCUSA-N. The full InChI is InChI=1S/C16H14INO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3/i17-2.
What are the key properties of 4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline?
4-(5-(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-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline is sourced from PubChem (CID 71462568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).