6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole

C25H24N4 — CID 123156982

IUPAC6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole
SMILESCCC1C=CC=Cc2c1ccc1c2nc(CCc2cnc3ccccc3n2)n1C
InChIInChI=1S/C25H24N4/c1-3-17-8-4-5-9-20-19(17)13-14-23-25(20)28-24(29(23)2)15-12-18-16-26-21-10-6-7-11-22(21)27-18/h4-11,13-14,16-17H,3,12,15H2,1-2H3
InChIKeyOZQMVFFYTPJQQL-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.38
Rot. Bonds4

About 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole

6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole (PubChem CID 123156982) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole
PubChem CID123156982
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole
SMILESCCC1C=CC=Cc2c1ccc1c2nc(CCc2cnc3ccccc3n2)n1C
InChIInChI=1S/C25H24N4/c1-3-17-8-4-5-9-20-19(17)13-14-23-25(20)28-24(29(23)2)15-12-18-16-26-21-10-6-7-11-22(21)27-18/h4-11,13-14,16-17H,3,12,15H2,1-2H3
InChIKeyOZQMVFFYTPJQQL-UHFFFAOYSA-N
XLogP5.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole?
The IUPAC name of 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole (CID 123156982) is 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole.
What is the SMILES notation for 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole?
The canonical SMILES for 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole is CCC1C=CC=Cc2c1ccc1c2nc(CCc2cnc3ccccc3n2)n1C.
What is the InChIKey of 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole?
The InChIKey is OZQMVFFYTPJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-17-8-4-5-9-20-19(17)13-14-23-25(20)28-24(29(23)2)15-12-18-16-26-21-10-6-7-11-22(21)27-18/h4-11,13-14,16-17H,3,12,15H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole?
6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole has a molecular weight of 380.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole is sourced from PubChem (CID 123156982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).