5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one

C15H16N2O — CID 114080985

IUPAC5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one
SMILESCCn1ccnc1Cc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H16N2O/c1-2-17-8-7-16-15(17)10-11-3-5-13-12(9-11)4-6-14(13)18/h3,5,7-9H,2,4,6,10H2,1H3
InChIKeyMURWDJAEXGBLNG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.62
Rot. Bonds3

About 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one

5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 114080985) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID114080985
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one
SMILESCCn1ccnc1Cc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H16N2O/c1-2-17-8-7-16-15(17)10-11-3-5-13-12(9-11)4-6-14(13)18/h3,5,7-9H,2,4,6,10H2,1H3
InChIKeyMURWDJAEXGBLNG-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one (CID 114080985) is 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one is CCn1ccnc1Cc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is MURWDJAEXGBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-17-8-7-16-15(17)10-11-3-5-13-12(9-11)4-6-14(13)18/h3,5,7-9H,2,4,6,10H2,1H3.
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one?
5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 114080985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).