(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol

C14H16N2O2 — CID 114091266

IUPAC(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H16N2O2/c17-14-4-1-11-9-12(2-3-13(11)14)18-8-7-16-6-5-15-10-16/h2-3,5-6,9-10,14,17H,1,4,7-8H2/t14-/m0/s1
InChIKeyVOVTXIHMLIHURV-AWEZNQCLSA-N
MW244.29 g/mol
LogP1.94
Rot. Bonds4

About (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol

(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 114091266) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID114091266
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H16N2O2/c17-14-4-1-11-9-12(2-3-13(11)14)18-8-7-16-6-5-15-10-16/h2-3,5-6,9-10,14,17H,1,4,7-8H2/t14-/m0/s1
InChIKeyVOVTXIHMLIHURV-AWEZNQCLSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol (CID 114091266) is (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2cc(OCCn3ccnc3)ccc21.
What is the InChIKey of (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VOVTXIHMLIHURV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-4-1-11-9-12(2-3-13(11)14)18-8-7-16-6-5-15-10-16/h2-3,5-6,9-10,14,17H,1,4,7-8H2/t14-/m0/s1.
What are the key properties of (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 244.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 114091266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).