(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C21H24N4O4 — CID 99870969

IUPAC(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O4/c26-19(24-12-10-23(11-13-24)16-5-2-1-3-6-16)9-8-18-20(27)25(21(28)22-18)15-17-7-4-14-29-17/h1-7,14,18H,8-13,15H2,(H,22,28)/t18-/m1/s1
InChIKeyHXMRKGAYXBUZMR-GOSISDBHSA-N
MW396.45 g/mol
LogP1.83
Rot. Bonds6

About (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 99870969) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID99870969
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O4/c26-19(24-12-10-23(11-13-24)16-5-2-1-3-6-16)9-8-18-20(27)25(21(28)22-18)15-17-7-4-14-29-17/h1-7,14,18H,8-13,15H2,(H,22,28)/t18-/m1/s1
InChIKeyHXMRKGAYXBUZMR-GOSISDBHSA-N
XLogP1.83
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
CID 124863015
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
(3R)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829815

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 99870969) is (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is HXMRKGAYXBUZMR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19(24-12-10-23(11-13-24)16-5-2-1-3-6-16)9-8-18-20(27)25(21(28)22-18)15-17-7-4-14-29-17/h1-7,14,18H,8-13,15H2,(H,22,28)/t18-/m1/s1.
What are the key properties of (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 396.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99870969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).