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

C24H26N2O2 — CID 10022300

IUPAC5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCCCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C24H26N2O2/c1-2-3-14-22-25-15-16-26(22)18-21-17-24(23(27)28-21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,15-16,21H,2-3,14,17-18H2,1H3
InChIKeyGOJOTRAQHYVGFP-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.53
Rot. Bonds7

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

5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (PubChem CID 10022300) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
PubChem CID10022300
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCCCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C24H26N2O2/c1-2-3-14-22-25-15-16-26(22)18-21-17-24(23(27)28-21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,15-16,21H,2-3,14,17-18H2,1H3
InChIKeyGOJOTRAQHYVGFP-UHFFFAOYSA-N
XLogP4.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (CID 10022300) is 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is CCCCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is GOJOTRAQHYVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-3-14-22-25-15-16-26(22)18-21-17-24(23(27)28-21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,15-16,21H,2-3,14,17-18H2,1H3.
What are the key properties of 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 10022300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).