(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

C21H20N4O2 — CID 15120618

IUPAC(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2cnc[nH]2)C(=O)N1[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20-18(12-17-13-22-14-23-17)24-21(27)25(20)19(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,13-14,18-19H,11-12H2,(H,22,23)(H,24,27)/t18-,19+/m1/s1
InChIKeyJJXSOAIDDQAGJA-MOPGFXCFSA-N
MW360.42 g/mol
LogP2.86
Rot. Bonds6

About (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 15120618) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID15120618
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2cnc[nH]2)C(=O)N1[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20-18(12-17-13-22-14-23-17)24-21(27)25(20)19(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,13-14,18-19H,11-12H2,(H,22,23)(H,24,27)/t18-,19+/m1/s1
InChIKeyJJXSOAIDDQAGJA-MOPGFXCFSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
CID 172898586
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120611
(5R)-3-cyclohexyl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120613
(3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)-3-methylpiperazine-2,5-dione
CID 11087822
(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323017
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-2-ylmethyl)piperazine-2,5-dione
CID 102308600
(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 167870530
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione
CID 5323610
(3R,6S)-3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 38350818
(5R)-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-enylimidazolidine-2,4-dione
CID 70670653

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (CID 15120618) is (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is JJXSOAIDDQAGJA-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20-18(12-17-13-22-14-23-17)24-21(27)25(20)19(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,13-14,18-19H,11-12H2,(H,22,23)(H,24,27)/t18-,19+/m1/s1.
What are the key properties of (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15120618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).