N'-(2-methylphenyl)indole-1-carboximidamide

C16H15N3 — CID 22627554

IUPACN'-(2-methylphenyl)indole-1-carboximidamide
SMILESCc1ccccc1/N=C(\N)n1ccc2ccccc21
InChIInChI=1S/C16H15N3/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19/h2-11H,1H3,(H2,17,18)
InChIKeyYNAXVCHTHZIPLO-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.44
Rot. Bonds1

About N'-(2-methylphenyl)indole-1-carboximidamide

N'-(2-methylphenyl)indole-1-carboximidamide (PubChem CID 22627554) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-(2-methylphenyl)indole-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)indole-1-carboximidamide
PubChem CID22627554
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN'-(2-methylphenyl)indole-1-carboximidamide
SMILESCc1ccccc1/N=C(\N)n1ccc2ccccc21
InChIInChI=1S/C16H15N3/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19/h2-11H,1H3,(H2,17,18)
InChIKeyYNAXVCHTHZIPLO-UHFFFAOYSA-N
XLogP3.44
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.44
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-methylphenyl)indole-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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)indole-1-carboximidamide?
The IUPAC name of N'-(2-methylphenyl)indole-1-carboximidamide (CID 22627554) is N'-(2-methylphenyl)indole-1-carboximidamide.
What is the SMILES notation for N'-(2-methylphenyl)indole-1-carboximidamide?
The canonical SMILES for N'-(2-methylphenyl)indole-1-carboximidamide is Cc1ccccc1/N=C(\N)n1ccc2ccccc21.
What is the InChIKey of N'-(2-methylphenyl)indole-1-carboximidamide?
The InChIKey is YNAXVCHTHZIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19/h2-11H,1H3,(H2,17,18).
What are the key properties of N'-(2-methylphenyl)indole-1-carboximidamide?
N'-(2-methylphenyl)indole-1-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)indole-1-carboximidamide is sourced from PubChem (CID 22627554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).