6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one

C23H16N6O — CID 71450627

IUPAC6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
SMILESO=c1nc2c(nc3ccccc13)N(Cc1nc3ccccc3[nH]1)c1ccccc1N2
InChIInChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30)
InChIKeyHIYZSHODGJUCGU-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.26
Rot. Bonds2

About 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one

6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one (PubChem CID 71450627) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
PubChem CID71450627
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
SMILESO=c1nc2c(nc3ccccc13)N(Cc1nc3ccccc3[nH]1)c1ccccc1N2
InChIInChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30)
InChIKeyHIYZSHODGJUCGU-UHFFFAOYSA-N
XLogP4.26
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one?
The IUPAC name of 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one (CID 71450627) is 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one?
The canonical SMILES for 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one is O=c1nc2c(nc3ccccc13)N(Cc1nc3ccccc3[nH]1)c1ccccc1N2.
What is the InChIKey of 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one?
The InChIKey is HIYZSHODGJUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30).
What are the key properties of 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one?
6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one has a molecular weight of 392.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylmethyl)-11H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one is sourced from PubChem (CID 71450627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).