[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate

C24H24N2O3 — CID 1040976

IUPAC[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C24H24N2O3/c1-18(27)29-22-14-13-19(17-23(22)28-2)24-25(20-9-5-3-6-10-20)15-16-26(24)21-11-7-4-8-12-21/h3-14,17,24H,15-16H2,1-2H3
InChIKeyPZALTESGJYHRCV-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.65
Rot. Bonds5

About [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate

[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate (PubChem CID 1040976) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate
PubChem CID1040976
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C24H24N2O3/c1-18(27)29-22-14-13-19(17-23(22)28-2)24-25(20-9-5-3-6-10-20)15-16-26(24)21-11-7-4-8-12-21/h3-14,17,24H,15-16H2,1-2H3
InChIKeyPZALTESGJYHRCV-UHFFFAOYSA-N
XLogP4.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The IUPAC name of [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate (CID 1040976) is [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The canonical SMILES for [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate is COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O.
What is the InChIKey of [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The InChIKey is PZALTESGJYHRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18(27)29-22-14-13-19(17-23(22)28-2)24-25(20-9-5-3-6-10-20)15-16-26(24)21-11-7-4-8-12-21/h3-14,17,24H,15-16H2,1-2H3.
What are the key properties of [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate?
[4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate has a molecular weight of 388.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenyl] acetate is sourced from PubChem (CID 1040976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).