5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole

C13H12N2 — CID 6540032

IUPAC5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole
SMILESC(=C1\CCc2ccccc21)\c1cnc[nH]1
InChIInChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)/b11-7+
InChIKeyFXLOWXDBTSZJFZ-YRNVUSSQSA-N
MW196.25 g/mol
LogP2.90
Rot. Bonds1

About 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole

5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole (PubChem CID 6540032) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole
PubChem CID6540032
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole
SMILESC(=C1\CCc2ccccc21)\c1cnc[nH]1
InChIInChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)/b11-7+
InChIKeyFXLOWXDBTSZJFZ-YRNVUSSQSA-N
XLogP2.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole?
The IUPAC name of 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole (CID 6540032) is 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole is C(=C1\CCc2ccccc21)\c1cnc[nH]1.
What is the InChIKey of 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole?
The InChIKey is FXLOWXDBTSZJFZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)/b11-7+.
What are the key properties of 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole?
5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole has a molecular weight of 196.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1H-imidazole is sourced from PubChem (CID 6540032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).