2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile

C23H12N6 — CID 132514774

IUPAC2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile
SMILESN#Cc1ccc2nc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C23H12N6/c24-12-15-10-11-19-21(16(15)13-25)29-20(14-6-2-1-3-7-14)22(26-19)23-27-17-8-4-5-9-18(17)28-23/h1-11H,(H,27,28)
InChIKeyFTXWLTGUDNWXAA-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.58
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile

2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile (PubChem CID 132514774) has the molecular formula C23H12N6 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile
PubChem CID132514774
Molecular FormulaC23H12N6
Molecular Weight372.39 g/mol
Exact Mass372.11
IUPAC Name2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile
SMILESN#Cc1ccc2nc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C23H12N6/c24-12-15-10-11-19-21(16(15)13-25)29-20(14-6-2-1-3-7-14)22(26-19)23-27-17-8-4-5-9-18(17)28-23/h1-11H,(H,27,28)
InChIKeyFTXWLTGUDNWXAA-UHFFFAOYSA-N
XLogP4.58
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile (CID 132514774) is 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile is N#Cc1ccc2nc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2c1C#N.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile?
The InChIKey is FTXWLTGUDNWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12N6/c24-12-15-10-11-19-21(16(15)13-25)29-20(14-6-2-1-3-7-14)22(26-19)23-27-17-8-4-5-9-18(17)28-23/h1-11H,(H,27,28).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile?
2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile has a molecular weight of 372.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-phenylquinoxaline-5,6-dicarbonitrile is sourced from PubChem (CID 132514774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).