1-ethyl-2-phenylbenzimidazole-4,7-dione

C15H12N2O2 — CID 46933600

IUPAC1-ethyl-2-phenylbenzimidazole-4,7-dione
SMILESCCn1c(-c2ccccc2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C15H12N2O2/c1-2-17-14-12(19)9-8-11(18)13(14)16-15(17)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIZFNOUGWVZSFOV-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.51
Rot. Bonds2

About 1-ethyl-2-phenylbenzimidazole-4,7-dione

1-ethyl-2-phenylbenzimidazole-4,7-dione (PubChem CID 46933600) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-ethyl-2-phenylbenzimidazole-4,7-dione.

Molecular Properties

Compound Name1-ethyl-2-phenylbenzimidazole-4,7-dione
PubChem CID46933600
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-ethyl-2-phenylbenzimidazole-4,7-dione
SMILESCCn1c(-c2ccccc2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C15H12N2O2/c1-2-17-14-12(19)9-8-11(18)13(14)16-15(17)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIZFNOUGWVZSFOV-UHFFFAOYSA-N
XLogP2.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.51
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 1-ethyl-2-phenylbenzimidazole-4,7-dione?
The IUPAC name of 1-ethyl-2-phenylbenzimidazole-4,7-dione (CID 46933600) is 1-ethyl-2-phenylbenzimidazole-4,7-dione.
What is the SMILES notation for 1-ethyl-2-phenylbenzimidazole-4,7-dione?
The canonical SMILES for 1-ethyl-2-phenylbenzimidazole-4,7-dione is CCn1c(-c2ccccc2)nc2c1C(=O)C=CC2=O.
What is the InChIKey of 1-ethyl-2-phenylbenzimidazole-4,7-dione?
The InChIKey is IZFNOUGWVZSFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-17-14-12(19)9-8-11(18)13(14)16-15(17)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-phenylbenzimidazole-4,7-dione?
1-ethyl-2-phenylbenzimidazole-4,7-dione has a molecular weight of 252.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenylbenzimidazole-4,7-dione is sourced from PubChem (CID 46933600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).