3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride

C23H25ClN2O2 — CID 45262278

IUPAC3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride
SMILESCCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C23H24N2O2.ClH/c1-2-9-21-24-14-15-25(21)17-20-16-23(22(26)27-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-15,20H,2,9,16-17H2,1H3;1H
InChIKeyAQURUXQWWLFPRV-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.56
Rot. Bonds6

About 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride

3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride (PubChem CID 45262278) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride
PubChem CID45262278
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride
SMILESCCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C23H24N2O2.ClH/c1-2-9-21-24-14-15-25(21)17-20-16-23(22(26)27-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-15,20H,2,9,16-17H2,1H3;1H
InChIKeyAQURUXQWWLFPRV-UHFFFAOYSA-N
XLogP4.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride?
The IUPAC name of 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride (CID 45262278) is 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride.
What is the SMILES notation for 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride?
The canonical SMILES for 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride is CCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride?
The InChIKey is AQURUXQWWLFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2.ClH/c1-2-9-21-24-14-15-25(21)17-20-16-23(22(26)27-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-15,20H,2,9,16-17H2,1H3;1H.
What are the key properties of 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride?
3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride is sourced from PubChem (CID 45262278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).