2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile

C17H8N6 — CID 70653417

IUPAC2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccc3ccc4cccnc4c3n2)[nH]c1C#N
InChIInChI=1S/C17H8N6/c18-8-13-14(9-19)23-17(22-13)12-6-5-11-4-3-10-2-1-7-20-15(10)16(11)21-12/h1-7H,(H,22,23)
InChIKeyFBKQYBVTCDZVOS-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.92
Rot. Bonds1

About 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile

2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile (PubChem CID 70653417) has the molecular formula C17H8N6 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile
PubChem CID70653417
Molecular FormulaC17H8N6
Molecular Weight296.29 g/mol
Exact Mass296.08
IUPAC Name2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccc3ccc4cccnc4c3n2)[nH]c1C#N
InChIInChI=1S/C17H8N6/c18-8-13-14(9-19)23-17(22-13)12-6-5-11-4-3-10-2-1-7-20-15(10)16(11)21-12/h1-7H,(H,22,23)
InChIKeyFBKQYBVTCDZVOS-UHFFFAOYSA-N
XLogP2.92
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile (CID 70653417) is 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(-c2ccc3ccc4cccnc4c3n2)[nH]c1C#N.
What is the InChIKey of 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is FBKQYBVTCDZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N6/c18-8-13-14(9-19)23-17(22-13)12-6-5-11-4-3-10-2-1-7-20-15(10)16(11)21-12/h1-7H,(H,22,23).
What are the key properties of 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile?
2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 296.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 70653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).