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

C13H15FN2 — CID 135449013

IUPAC(4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2c(c1)C[C@@H](C[C@H]1CNC=N1)C2
InChIInChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)/t9-,13-/m0/s1
InChIKeyHBMJQYDGBNSZMC-ZANVPECISA-N
MW218.28 g/mol
LogP1.93
Rot. Bonds2

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

(4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 135449013) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID135449013
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name(4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2c(c1)C[C@@H](C[C@H]1CNC=N1)C2
InChIInChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)/t9-,13-/m0/s1
InChIKeyHBMJQYDGBNSZMC-ZANVPECISA-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 (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole (CID 135449013) is (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole is Fc1ccc2c(c1)C[C@@H](C[C@H]1CNC=N1)C2.
What is the InChIKey of (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HBMJQYDGBNSZMC-ZANVPECISA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)/t9-,13-/m0/s1.
What are the key properties of (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole?
(4S)-4-[[(2S)-5-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 (4S)-4-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 135449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).