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

C24H27ClN2O2 — CID 45265282

IUPAC5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCC(C)(C)c1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-23(2,3)21-25-14-15-26(21)17-20-16-24(22(27)28-20,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-15,20H,16-17H2,1-3H3;1H
InChIKeyZPCPBGSMLOZKTH-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.90
Rot. Bonds4

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

5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45265282) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45265282
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCC(C)(C)c1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-23(2,3)21-25-14-15-26(21)17-20-16-24(22(27)28-20,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-15,20H,16-17H2,1-3H3;1H
InChIKeyZPCPBGSMLOZKTH-UHFFFAOYSA-N
XLogP4.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45265282) is 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CC(C)(C)c1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is ZPCPBGSMLOZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.ClH/c1-23(2,3)21-25-14-15-26(21)17-20-16-24(22(27)28-20,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-15,20H,16-17H2,1-3H3;1H.
What are the key properties of 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45265282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).