5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one

C22H22N2O2 — CID 15016078

IUPAC5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCc1cnc(C)n1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C22H22N2O2/c1-16-14-23-17(2)24(16)15-20-13-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,20H,13,15H2,1-2H3
InChIKeyGVDWOGJDNUIXJE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.80
Rot. Bonds4

About 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one

5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (PubChem CID 15016078) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
PubChem CID15016078
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCc1cnc(C)n1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C22H22N2O2/c1-16-14-23-17(2)24(16)15-20-13-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,20H,13,15H2,1-2H3
InChIKeyGVDWOGJDNUIXJE-UHFFFAOYSA-N
XLogP3.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-Methyl-2-propan-2-ylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one iodide
CID 10458713
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-1-ylmethyl)-3,3-diphenyloxolan-2-one chloride
CID 10023583
2(3H)-Furanone, dihydro-5-((2-(1-methylethyl)-1H-imidazole-1-yl)methyl)-3,3-diphenyl-, hydrochloric salt, (R)-
CID 178393
5-[(2-Ethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
CID 9951950
5-[(7-Methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 9979677
5-[(2,3-Dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide
CID 9979943
5-[(2-Butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 10022300
5-[(3-Methyl-2-propylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one iodide
CID 10029005
5-[[2-(Methoxymethyl)-3-methylimidazol-3-ium-1-yl]methyl]-3,3-diphenyloxolan-2-one iodide
CID 10029095
5-[(3-Benzyl-2-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide
CID 10051815
5-[(3-Methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide
CID 10093139
5-[(3-Ethylimidazol-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one iodide
CID 10254292

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (CID 15016078) is 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is Cc1cnc(C)n1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is GVDWOGJDNUIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-14-23-17(2)24(16)15-20-13-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,20H,13,15H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 346.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 15016078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).