2-(benzimidazol-1-yl)-3-methylquinoxaline

C16H12N4 — CID 115579889

IUPAC2-(benzimidazol-1-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-n1cnc2ccccc21
InChIInChI=1S/C16H12N4/c1-11-16(19-13-7-3-2-6-12(13)18-11)20-10-17-14-8-4-5-9-15(14)20/h2-10H,1H3
InChIKeySMLXEYLSQRAROO-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.28
Rot. Bonds1

About 2-(benzimidazol-1-yl)-3-methylquinoxaline

2-(benzimidazol-1-yl)-3-methylquinoxaline (PubChem CID 115579889) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-3-methylquinoxaline
PubChem CID115579889
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-(benzimidazol-1-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-n1cnc2ccccc21
InChIInChI=1S/C16H12N4/c1-11-16(19-13-7-3-2-6-12(13)18-11)20-10-17-14-8-4-5-9-15(14)20/h2-10H,1H3
InChIKeySMLXEYLSQRAROO-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-3-methylquinoxaline?
The IUPAC name of 2-(benzimidazol-1-yl)-3-methylquinoxaline (CID 115579889) is 2-(benzimidazol-1-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(benzimidazol-1-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(benzimidazol-1-yl)-3-methylquinoxaline is Cc1nc2ccccc2nc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-3-methylquinoxaline?
The InChIKey is SMLXEYLSQRAROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-16(19-13-7-3-2-6-12(13)18-11)20-10-17-14-8-4-5-9-15(14)20/h2-10H,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-3-methylquinoxaline?
2-(benzimidazol-1-yl)-3-methylquinoxaline has a molecular weight of 260.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-3-methylquinoxaline is sourced from PubChem (CID 115579889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).