5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole

C13H15FN2 — CID 10608858

IUPAC5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1CC(CC1CN=CN1)C2
InChIInChI=1S/C13H15FN2/c14-13-3-1-2-10-4-9(6-12(10)13)5-11-7-15-8-16-11/h1-3,8-9,11H,4-7H2,(H,15,16)
InChIKeyLQJGPTUEUKGVLC-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.93
Rot. Bonds2

About 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10608858) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10608858
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1CC(CC1CN=CN1)C2
InChIInChI=1S/C13H15FN2/c14-13-3-1-2-10-4-9(6-12(10)13)5-11-7-15-8-16-11/h1-3,8-9,11H,4-7H2,(H,15,16)
InChIKeyLQJGPTUEUKGVLC-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 10608858) is 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole is Fc1cccc2c1CC(CC1CN=CN1)C2.
What is the InChIKey of 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LQJGPTUEUKGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-13-3-1-2-10-4-9(6-12(10)13)5-11-7-15-8-16-11/h1-3,8-9,11H,4-7H2,(H,15,16).
What are the key properties of 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 218.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10608858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).