1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione

C19H14N2O2 — CID 46933602

IUPAC1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione
SMILESCCn1c(-c2ccc3ccccc3c2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C19H14N2O2/c1-2-21-18-16(23)10-9-15(22)17(18)20-19(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3
InChIKeyAZZAVNJIRFQYSO-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.66
Rot. Bonds2

About 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione

1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione (PubChem CID 46933602) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione.

Molecular Properties

Compound Name1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione
PubChem CID46933602
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione
SMILESCCn1c(-c2ccc3ccccc3c2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C19H14N2O2/c1-2-21-18-16(23)10-9-15(22)17(18)20-19(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3
InChIKeyAZZAVNJIRFQYSO-UHFFFAOYSA-N
XLogP3.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.66
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-naphthalen-2-ylbenzimidazole-4,7-dione?
The IUPAC name of 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione (CID 46933602) is 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione.
What is the SMILES notation for 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione?
The canonical SMILES for 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione is CCn1c(-c2ccc3ccccc3c2)nc2c1C(=O)C=CC2=O.
What is the InChIKey of 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione?
The InChIKey is AZZAVNJIRFQYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-2-21-18-16(23)10-9-15(22)17(18)20-19(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione?
1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione has a molecular weight of 302.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-naphthalen-2-ylbenzimidazole-4,7-dione is sourced from PubChem (CID 46933602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).