(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C21H24N2O3 — CID 11325633

IUPAC(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C2C=C[C@H](CCc3ccco3)O2)C(=O)N1C
InChIInChI=1S/C21H24N2O3/c1-15-20(16-7-4-3-5-8-16)23(21(24)22(15)2)19-13-12-18(26-19)11-10-17-9-6-14-25-17/h3-9,12-15,18-20H,10-11H2,1-2H3/t15-,18-,19?,20-/m0/s1
InChIKeyVPPQHYFMYAGVRD-GZKUECPQSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds5

About (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 11325633) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID11325633
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C2C=C[C@H](CCc3ccco3)O2)C(=O)N1C
InChIInChI=1S/C21H24N2O3/c1-15-20(16-7-4-3-5-8-16)23(21(24)22(15)2)19-13-12-18(26-19)11-10-17-9-6-14-25-17/h3-9,12-15,18-20H,10-11H2,1-2H3/t15-,18-,19?,20-/m0/s1
InChIKeyVPPQHYFMYAGVRD-GZKUECPQSA-N
XLogP3.99
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one
CID 73236404
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(4S,5R)-1-[(2R,3R)-2-(dibenzylamino)-3-(furan-2-yl)-3-hydroxypropanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 101112776
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566
tert-butyl (1S,2R,5S)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 102276867
(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
CID 71359946
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 11325633) is (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)N(C2C=C[C@H](CCc3ccco3)O2)C(=O)N1C.
What is the InChIKey of (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is VPPQHYFMYAGVRD-GZKUECPQSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-20(16-7-4-3-5-8-16)23(21(24)22(15)2)19-13-12-18(26-19)11-10-17-9-6-14-25-17/h3-9,12-15,18-20H,10-11H2,1-2H3/t15-,18-,19?,20-/m0/s1.
What are the key properties of (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 11325633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).