N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide

C20H17N5 — CID 154537160

IUPACN'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17N5/c21-20(23-24-22)18-7-8-19-17(12-18)9-10-25(19)13-14-5-6-15-3-1-2-4-16(15)11-14/h1-12H,13H2,(H3,21,22,23)
InChIKeyYSWYGIYDHPCDSW-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.49
Rot. Bonds4

About N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide

N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide (PubChem CID 154537160) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
PubChem CID154537160
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17N5/c21-20(23-24-22)18-7-8-19-17(12-18)9-10-25(19)13-14-5-6-15-3-1-2-4-16(15)11-14/h1-12H,13H2,(H3,21,22,23)
InChIKeyYSWYGIYDHPCDSW-UHFFFAOYSA-N
XLogP4.49
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.49
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide
CID 142938901
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223584
1-[(3-hydroxyphenyl)methyl]indole-5-carbothioamide
CID 107920653
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 89319036
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide?
The IUPAC name of N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide (CID 154537160) is N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide.
What is the SMILES notation for N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide?
The canonical SMILES for N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(ccn2Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide?
The InChIKey is YSWYGIYDHPCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-20(23-24-22)18-7-8-19-17(12-18)9-10-25(19)13-14-5-6-15-3-1-2-4-16(15)11-14/h1-12H,13H2,(H3,21,22,23).
What are the key properties of N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide?
N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide has a molecular weight of 327.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide is sourced from PubChem (CID 154537160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).