(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C11H10N4O2S — CID 102323017

IUPAC(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccsc1
InChIInChI=1S/C11H10N4O2S/c16-10-9(3-7-4-12-6-13-7)14-11(17)15(10)8-1-2-18-5-8/h1-2,4-6,9H,3H2,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyJKCAGDUFIDHQAQ-VIFPVBQESA-N
MW262.29 g/mol
LogP1.14
Rot. Bonds3

About (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323017) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323017
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccsc1
InChIInChI=1S/C11H10N4O2S/c16-10-9(3-7-4-12-6-13-7)14-11(17)15(10)8-1-2-18-5-8/h1-2,4-6,9H,3H2,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyJKCAGDUFIDHQAQ-VIFPVBQESA-N
XLogP1.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120611
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 15282255
2-[(4S)-2,5-dioxo-1-thiophen-3-ylimidazolidin-4-yl]acetic acid
CID 102323019
(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 167870530
(5R)-3-cyclohexyl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120613
(5R)-5-methyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 130816453
(5R)-3-[(1S)-1,2-diphenylethyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120618
3-[(5-chlorothiophen-2-yl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 22297991
(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
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 126418778
(5S)-3-[3-(1H-benzimidazol-2-yl)cyclohexyl]-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 167804937
3-(1H-imidazol-5-ylmethyl)-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 14185458

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323017) is (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccsc1.
What is the InChIKey of (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is JKCAGDUFIDHQAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-10-9(3-7-4-12-6-13-7)14-11(17)15(10)8-1-2-18-5-8/h1-2,4-6,9H,3H2,(H,12,13)(H,14,17)/t9-/m0/s1.
What are the key properties of (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1H-imidazol-5-ylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).