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

C22H23ClN2O2 — CID 45262264

IUPAC(5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-2-20-23-13-14-24(20)16-19-15-22(21(25)26-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14,19H,2,15-16H2,1H3;1H/t19-;/m0./s1
InChIKeyZXRMDNARIPAEBO-FYZYNONXSA-N
MW382.89 g/mol
LogP4.17
Rot. Bonds5

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

(5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45262264) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45262264
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name(5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-2-20-23-13-14-24(20)16-19-15-22(21(25)26-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14,19H,2,15-16H2,1H3;1H/t19-;/m0./s1
InChIKeyZXRMDNARIPAEBO-FYZYNONXSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45262264) is (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is ZXRMDNARIPAEBO-FYZYNONXSA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c1-2-20-23-13-14-24(20)16-19-15-22(21(25)26-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14,19H,2,15-16H2,1H3;1H/t19-;/m0./s1.
What are the key properties of (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
(5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45262264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).