1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine

C16H14N4 — CID 695477

IUPAC1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2ccc[nH]2)cc1)\c1ccc[nH]1
InChIInChI=1S/C16H14N4/c1-3-15(17-9-1)11-19-13-5-7-14(8-6-13)20-12-16-4-2-10-18-16/h1-12,17-18H/b19-11+,20-12+
InChIKeyVJGIDPMSVFBNBQ-AYKLPDECSA-N
MW262.32 g/mol
LogP3.84
Rot. Bonds4

About 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine

1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine (PubChem CID 695477) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
PubChem CID695477
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2ccc[nH]2)cc1)\c1ccc[nH]1
InChIInChI=1S/C16H14N4/c1-3-15(17-9-1)11-19-13-5-7-14(8-6-13)20-12-16-4-2-10-18-16/h1-12,17-18H/b19-11+,20-12+
InChIKeyVJGIDPMSVFBNBQ-AYKLPDECSA-N
XLogP3.84
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The IUPAC name of 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine (CID 695477) is 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The canonical SMILES for 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine is C(=N/c1ccc(/N=C/c2ccc[nH]2)cc1)\c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
The InChIKey is VJGIDPMSVFBNBQ-AYKLPDECSA-N. The full InChI is InChI=1S/C16H14N4/c1-3-15(17-9-1)11-19-13-5-7-14(8-6-13)20-12-16-4-2-10-18-16/h1-12,17-18H/b19-11+,20-12+.
What are the key properties of 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine?
1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine has a molecular weight of 262.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine is sourced from PubChem (CID 695477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).