5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C23H25ClN2O3 — CID 45262141

IUPAC5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCOCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C23H24N2O3.ClH/c1-27-15-12-21-24-13-14-25(21)17-20-16-23(22(26)28-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,13-14,20H,12,15-17H2,1H3;1H
InChIKeyQLJIPIAMZRRDJN-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.80
Rot. Bonds7

About 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45262141) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45262141
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCOCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C23H24N2O3.ClH/c1-27-15-12-21-24-13-14-25(21)17-20-16-23(22(26)28-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,13-14,20H,12,15-17H2,1H3;1H
InChIKeyQLJIPIAMZRRDJN-UHFFFAOYSA-N
XLogP3.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45262141) is 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is COCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is QLJIPIAMZRRDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3.ClH/c1-27-15-12-21-24-13-14-25(21)17-20-16-23(22(26)28-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,13-14,20H,12,15-17H2,1H3;1H.
What are the key properties of 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).