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

C13H14N2O — CID 6433098

IUPAC3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H14N2O/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11/h3-4,6-8,10,16H,1-2,5H2,(H,14,15)
InChIKeyVTZPAJGVRWKMAG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.39
Rot. Bonds2

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

3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 6433098) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol
PubChem CID6433098
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)C(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H14N2O/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11/h3-4,6-8,10,16H,1-2,5H2,(H,14,15)
InChIKeyVTZPAJGVRWKMAG-UHFFFAOYSA-N
XLogP2.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol (CID 6433098) is 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)C(Cc1cnc[nH]1)CC2.
What is the InChIKey of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VTZPAJGVRWKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11/h3-4,6-8,10,16H,1-2,5H2,(H,14,15).
What are the key properties of 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 214.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 6433098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).