N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C19H23IN4O3 — CID 111495363

IUPACN-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCOCCN/C(=N\Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21.I
InChIInChI=1S/C19H22N4O3.HI/c1-26-13-11-20-19(22-12-10-16-4-2-3-5-18(16)22)21-14-15-6-8-17(9-7-15)23(24)25;/h2-9H,10-14H2,1H3,(H,20,21);1H
InChIKeyQLJZOMQOTINGDA-UHFFFAOYSA-N
MW482.32 g/mol
LogP3.37
Rot. Bonds6

About N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 111495363) has the molecular formula C19H23IN4O3 and a molecular weight of 482.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID111495363
Molecular FormulaC19H23IN4O3
Molecular Weight482.32 g/mol
Exact Mass482.08
IUPAC NameN-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCOCCN/C(=N\Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21.I
InChIInChI=1S/C19H22N4O3.HI/c1-26-13-11-20-19(22-12-10-16-4-2-3-5-18(16)22)21-14-15-6-8-17(9-7-15)23(24)25;/h2-9H,10-14H2,1H3,(H,20,21);1H
InChIKeyQLJZOMQOTINGDA-UHFFFAOYSA-N
XLogP3.37
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide 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-(2-methoxyethyl)-3,5-dimethyl-N'-[(4-nitrophenyl)methyl]piperidine-1-carboximidamide
CID 111538810
1,3-bis(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111491810
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 111541420
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495407
1-(2-methoxyethyl)-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111491555
N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984032
4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110983328
1-(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111537610
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983454
4-acetyl-N'-[(4-nitrophenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111493597
N-(2-amino-2-oxoethyl)-4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110983335

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 111495363) is N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is COCCN/C(=N\Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21.I.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is QLJZOMQOTINGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.HI/c1-26-13-11-20-19(22-12-10-16-4-2-3-5-18(16)22)21-14-15-6-8-17(9-7-15)23(24)25;/h2-9H,10-14H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 482.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(4-nitrophenyl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111495363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).