2-phenyl-3H-isoindol-1-imine

C14H12N2 — CID 745705

IUPAC2-phenyl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H12N2/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12/h1-9,15H,10H2/b15-14+
InChIKeyLCQFABGPQKTVPJ-CCEZHUSRSA-N
MW208.26 g/mol
LogP3.03
Rot. Bonds1

About 2-phenyl-3H-isoindol-1-imine

2-phenyl-3H-isoindol-1-imine (PubChem CID 745705) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-phenyl-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-phenyl-3H-isoindol-1-imine
PubChem CID745705
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-phenyl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H12N2/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12/h1-9,15H,10H2/b15-14+
InChIKeyLCQFABGPQKTVPJ-CCEZHUSRSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-isoindol-1-imine?
The IUPAC name of 2-phenyl-3H-isoindol-1-imine (CID 745705) is 2-phenyl-3H-isoindol-1-imine.
What is the SMILES notation for 2-phenyl-3H-isoindol-1-imine?
The canonical SMILES for 2-phenyl-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1ccccc1.
What is the InChIKey of 2-phenyl-3H-isoindol-1-imine?
The InChIKey is LCQFABGPQKTVPJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H12N2/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12/h1-9,15H,10H2/b15-14+.
What are the key properties of 2-phenyl-3H-isoindol-1-imine?
2-phenyl-3H-isoindol-1-imine has a molecular weight of 208.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-isoindol-1-imine is sourced from PubChem (CID 745705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).