N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide

C16H14IN5 — CID 142938901

IUPACN'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccccc2I)c1
InChIInChI=1S/C16H14IN5/c17-14-4-2-1-3-13(14)10-22-8-7-11-9-12(5-6-15(11)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20)
InChIKeyKIZZZLBILYYYBI-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.95
Rot. Bonds4

About N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide

N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide (PubChem CID 142938901) has the molecular formula C16H14IN5 and a molecular weight of 403.23 g/mol. Its IUPAC name is N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide
PubChem CID142938901
Molecular FormulaC16H14IN5
Molecular Weight403.23 g/mol
Exact Mass403.03
IUPAC NameN'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccccc2I)c1
InChIInChI=1S/C16H14IN5/c17-14-4-2-1-3-13(14)10-22-8-7-11-9-12(5-6-15(11)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20)
InChIKeyKIZZZLBILYYYBI-UHFFFAOYSA-N
XLogP3.95
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
CID 154537160
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
1-[(2-methylphenyl)methyl]indole-5-carbothioamide
CID 107920515
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
1-[(2,3-difluorophenyl)methyl]indole-5-carbothioamide
CID 107920707
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-6-carboximidamide
CID 107917634
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide
CID 143165709
1-[(2-cyanophenyl)methyl]indole-5-carboxylic acid
CID 63748946

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide?
The IUPAC name of N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide (CID 142938901) is N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide.
What is the SMILES notation for N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide?
The canonical SMILES for N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccccc2I)c1.
What is the InChIKey of N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide?
The InChIKey is KIZZZLBILYYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN5/c17-14-4-2-1-3-13(14)10-22-8-7-11-9-12(5-6-15(11)22)16(18)20-21-19/h1-9H,10H2,(H3,18,19,20).
What are the key properties of N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide?
N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide has a molecular weight of 403.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide is sourced from PubChem (CID 142938901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).