2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride

C13H17ClN2O — CID 3051327

IUPAC2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1cc2c(c(OCC3=NCCN3)c1)CCC2
InChIInChI=1S/C13H16N2O.ClH/c1-3-10-4-2-6-12(11(10)5-1)16-9-13-14-7-8-15-13;/h2,4,6H,1,3,5,7-9H2,(H,14,15);1H
InChIKeyGAZFRUTVWQWTJP-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 3051327) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID3051327
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1cc2c(c(OCC3=NCCN3)c1)CCC2
InChIInChI=1S/C13H16N2O.ClH/c1-3-10-4-2-6-12(11(10)5-1)16-9-13-14-7-8-15-13;/h2,4,6H,1,3,5,7-9H2,(H,14,15);1H
InChIKeyGAZFRUTVWQWTJP-UHFFFAOYSA-N
XLogP1.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 3051327) is 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1cc2c(c(OCC3=NCCN3)c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is GAZFRUTVWQWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-3-10-4-2-6-12(11(10)5-1)16-9-13-14-7-8-15-13;/h2,4,6H,1,3,5,7-9H2,(H,14,15);1H.
What are the key properties of 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 3051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).