N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide

C22H21N3O — CID 18709570

IUPACN'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
SMILESCOc1ccc(-c2ccccc2/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H21N3O/c1-26-18-12-10-16(11-13-18)19-7-3-4-8-20(19)24-22(23)25-15-14-17-6-2-5-9-21(17)25/h2-13H,14-15H2,1H3,(H2,23,24)
InChIKeySGWFPZWENVLYOD-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.37
Rot. Bonds3

About N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide

N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 18709570) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID18709570
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
SMILESCOc1ccc(-c2ccccc2/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H21N3O/c1-26-18-12-10-16(11-13-18)19-7-3-4-8-20(19)24-22(23)25-15-14-17-6-2-5-9-21(17)25/h2-13H,14-15H2,1H3,(H2,23,24)
InChIKeySGWFPZWENVLYOD-UHFFFAOYSA-N
XLogP4.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-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'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine
CID 19089172
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide (CID 18709570) is N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide is COc1ccc(-c2ccccc2/N=C(\N)N2CCc3ccccc32)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is SGWFPZWENVLYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-26-18-12-10-16(11-13-18)19-7-3-4-8-20(19)24-22(23)25-15-14-17-6-2-5-9-21(17)25/h2-13H,14-15H2,1H3,(H2,23,24).
What are the key properties of N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide?
N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 343.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 18709570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).