5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione

C16H12N2O2 — CID 52944228

IUPAC5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione
SMILESCC1Cn2c(nc3c2C(=O)C=CC3=O)-c2ccccc21
InChIInChI=1S/C16H12N2O2/c1-9-8-18-15-13(20)7-6-12(19)14(15)17-16(18)11-5-3-2-4-10(9)11/h2-7,9H,8H2,1H3
InChIKeyYHLUHMWSKZVYFI-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.60
Rot. Bonds

About 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione

5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione (PubChem CID 52944228) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione.

Molecular Properties

Compound Name5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione
PubChem CID52944228
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione
SMILESCC1Cn2c(nc3c2C(=O)C=CC3=O)-c2ccccc21
InChIInChI=1S/C16H12N2O2/c1-9-8-18-15-13(20)7-6-12(19)14(15)17-16(18)11-5-3-2-4-10(9)11/h2-7,9H,8H2,1H3
InChIKeyYHLUHMWSKZVYFI-UHFFFAOYSA-N
XLogP2.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione?
The IUPAC name of 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione (CID 52944228) is 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione.
What is the SMILES notation for 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione?
The canonical SMILES for 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione is CC1Cn2c(nc3c2C(=O)C=CC3=O)-c2ccccc21.
What is the InChIKey of 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione?
The InChIKey is YHLUHMWSKZVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-9-8-18-15-13(20)7-6-12(19)14(15)17-16(18)11-5-3-2-4-10(9)11/h2-7,9H,8H2,1H3.
What are the key properties of 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione?
5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione has a molecular weight of 264.28 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-8,11-dione is sourced from PubChem (CID 52944228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).