1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine

C16H14N4 — CID 101341315

IUPAC1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
SMILESC1=CC(/C=N/c2ccccc2/N=C/C2C=CC=N2)N=C1
InChIInChI=1S/C16H14N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h1-14H/b19-11+,20-12+
InChIKeyPNIVSHCCLZPPLA-AYKLPDECSA-N
MW262.32 g/mol
LogP3.11
Rot. Bonds4

About 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine

1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine (PubChem CID 101341315) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
PubChem CID101341315
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
SMILESC1=CC(/C=N/c2ccccc2/N=C/C2C=CC=N2)N=C1
InChIInChI=1S/C16H14N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h1-14H/b19-11+,20-12+
InChIKeyPNIVSHCCLZPPLA-AYKLPDECSA-N
XLogP3.11
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine 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 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The IUPAC name of 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine (CID 101341315) is 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The canonical SMILES for 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine is C1=CC(/C=N/c2ccccc2/N=C/C2C=CC=N2)N=C1.
What is the InChIKey of 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The InChIKey is PNIVSHCCLZPPLA-AYKLPDECSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h1-14H/b19-11+,20-12+.
What are the key properties of 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine has a molecular weight of 262.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrrol-2-yl)-N-[2-(2H-pyrrol-2-ylmethylideneamino)phenyl]methanimine is sourced from PubChem (CID 101341315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).