2-N-(1-benzofuran-2-yl)benzene-1,2-diamine

C14H12N2O — CID 70195829

IUPAC2-N-(1-benzofuran-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc2ccccc2o1
InChIInChI=1S/C14H12N2O/c15-11-6-2-3-7-12(11)16-14-9-10-5-1-4-8-13(10)17-14/h1-9,16H,15H2
InChIKeyPKWAHDWLCFMPDS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.76
Rot. Bonds2

About 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine

2-N-(1-benzofuran-2-yl)benzene-1,2-diamine (PubChem CID 70195829) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzofuran-2-yl)benzene-1,2-diamine
PubChem CID70195829
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-N-(1-benzofuran-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc2ccccc2o1
InChIInChI=1S/C14H12N2O/c15-11-6-2-3-7-12(11)16-14-9-10-5-1-4-8-13(10)17-14/h1-9,16H,15H2
InChIKeyPKWAHDWLCFMPDS-UHFFFAOYSA-N
XLogP3.76
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine 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 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine (CID 70195829) is 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine is Nc1ccccc1Nc1cc2ccccc2o1.
What is the InChIKey of 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine?
The InChIKey is PKWAHDWLCFMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-11-6-2-3-7-12(11)16-14-9-10-5-1-4-8-13(10)17-14/h1-9,16H,15H2.
What are the key properties of 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine?
2-N-(1-benzofuran-2-yl)benzene-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzofuran-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 70195829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).