[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate

C27H24N2O3 — CID 165351790

IUPAC[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate
SMILESO=C(OCc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C27H24N2O3/c30-27(21-10-4-1-5-11-21)31-20-24-16-17-25(32-24)26-28(22-12-6-2-7-13-22)18-19-29(26)23-14-8-3-9-15-23/h1-17,26H,18-20H2
InChIKeyHBWXZQRZDHBOKB-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.66
Rot. Bonds6

About [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate

[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate (PubChem CID 165351790) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate
PubChem CID165351790
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate
SMILESO=C(OCc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C27H24N2O3/c30-27(21-10-4-1-5-11-21)31-20-24-16-17-25(32-24)26-28(22-12-6-2-7-13-22)18-19-29(26)23-14-8-3-9-15-23/h1-17,26H,18-20H2
InChIKeyHBWXZQRZDHBOKB-UHFFFAOYSA-N
XLogP5.66
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl benzoate
CID 2345
benzyl 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoate
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[6-(benzoyloxymethyl)-4-oxopyran-2-yl]methyl 4-methylbenzoate
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[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate
CID 46916911
ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 135009612
benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate;2-phenylacetic acid
CID 70386781
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
(5-formylfuran-2-yl)methyl pyridine-4-carboxylate
CID 126696505
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate?
The IUPAC name of [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate (CID 165351790) is [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate.
What is the SMILES notation for [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate?
The canonical SMILES for [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate is O=C(OCc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1)c1ccccc1.
What is the InChIKey of [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate?
The InChIKey is HBWXZQRZDHBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-27(21-10-4-1-5-11-21)31-20-24-16-17-25(32-24)26-28(22-12-6-2-7-13-22)18-19-29(26)23-14-8-3-9-15-23/h1-17,26H,18-20H2.
What are the key properties of [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate?
[5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate has a molecular weight of 424.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-diphenylimidazolidin-2-yl)furan-2-yl]methyl benzoate is sourced from PubChem (CID 165351790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).