3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione

C14H12N2O2 — CID 4082365

IUPAC3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione
SMILESCCn1c(C)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H12N2O2/c1-3-16-8(2)15-11-12(16)14(18)10-7-5-4-6-9(10)13(11)17/h4-7H,3H2,1-2H3
InChIKeyUZPNLDCCBLZMKN-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.99
Rot. Bonds1

About 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione

3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione (PubChem CID 4082365) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione.

Molecular Properties

Compound Name3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione
PubChem CID4082365
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione
SMILESCCn1c(C)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H12N2O2/c1-3-16-8(2)15-11-12(16)14(18)10-7-5-4-6-9(10)13(11)17/h4-7H,3H2,1-2H3
InChIKeyUZPNLDCCBLZMKN-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.99
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 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione?
The IUPAC name of 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione (CID 4082365) is 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione.
What is the SMILES notation for 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione?
The canonical SMILES for 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione is CCn1c(C)nc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione?
The InChIKey is UZPNLDCCBLZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-16-8(2)15-11-12(16)14(18)10-7-5-4-6-9(10)13(11)17/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione?
3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione has a molecular weight of 240.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylbenzo[f]benzimidazole-4,9-dione is sourced from PubChem (CID 4082365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).