(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

C13H11ClN4O2 — CID 15120611

IUPAC(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2cnc[nH]2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2/c14-8-1-3-10(4-2-8)18-12(19)11(17-13(18)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,17,20)/t11-/m1/s1
InChIKeyJFQYUEFDLDSJEI-LLVKDONJSA-N
MW290.71 g/mol
LogP1.73
Rot. Bonds3

About (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 15120611) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID15120611
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2cnc[nH]2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2/c14-8-1-3-10(4-2-8)18-12(19)11(17-13(18)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,17,20)/t11-/m1/s1
InChIKeyJFQYUEFDLDSJEI-LLVKDONJSA-N
XLogP1.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.73
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

(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323017
(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 167870530
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
CID 44604673
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 126418778
3-[(5-chlorothiophen-2-yl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 22297991
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
(3S,7R,8aS)-7-hydroxy-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 131924611
(7R,9aS)-2-[(5-chlorothiophen-2-yl)methyl]-7-(1H-imidazol-5-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 133123327
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 93037488
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 15282255
5-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]imidazolidine-2,4-dione
CID 167939013

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (CID 15120611) is (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is JFQYUEFDLDSJEI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-8-1-3-10(4-2-8)18-12(19)11(17-13(18)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,17,20)/t11-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 290.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15120611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).