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

C13H13FN2 — CID 58681399

IUPAC5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
SMILESFc1ccc2c(c1)CC[C@H]2Cc1cnc[nH]1
InChIInChI=1S/C13H13FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-5,7-8,10H,1-2,6H2,(H,15,16)/t10-/m0/s1
InChIKeyPQUNDFHTOIRGSF-JTQLQIEISA-N
MW216.26 g/mol
LogP2.82
Rot. Bonds2

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

5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole (PubChem CID 58681399) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
PubChem CID58681399
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
SMILESFc1ccc2c(c1)CC[C@H]2Cc1cnc[nH]1
InChIInChI=1S/C13H13FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-5,7-8,10H,1-2,6H2,(H,15,16)/t10-/m0/s1
InChIKeyPQUNDFHTOIRGSF-JTQLQIEISA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The IUPAC name of 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole (CID 58681399) is 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole.
What is the SMILES notation for 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The canonical SMILES for 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole is Fc1ccc2c(c1)CC[C@H]2Cc1cnc[nH]1.
What is the InChIKey of 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The InChIKey is PQUNDFHTOIRGSF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-5,7-8,10H,1-2,6H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole has a molecular weight of 216.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole is sourced from PubChem (CID 58681399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).