(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

C19H14N4O3 — CID 167870530

IUPAC(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14N4O3/c24-18-15(7-11-9-20-10-21-11)22-19(25)23(18)12-5-6-14-13-3-1-2-4-16(13)26-17(14)8-12/h1-6,8-10,15H,7H2,(H,20,21)(H,22,25)/t15-/m0/s1
InChIKeyCJYZLOUVOHIERZ-HNNXBMFYSA-N
MW346.35 g/mol
LogP2.98
Rot. Bonds3

About (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione

(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 167870530) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID167870530
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14N4O3/c24-18-15(7-11-9-20-10-21-11)22-19(25)23(18)12-5-6-14-13-3-1-2-4-16(13)26-17(14)8-12/h1-6,8-10,15H,7H2,(H,20,21)(H,22,25)/t15-/m0/s1
InChIKeyCJYZLOUVOHIERZ-HNNXBMFYSA-N
XLogP2.98
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione (CID 167870530) is (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is CJYZLOUVOHIERZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-18-15(7-11-9-20-10-21-11)22-19(25)23(18)12-5-6-14-13-3-1-2-4-16(13)26-17(14)8-12/h1-6,8-10,15H,7H2,(H,20,21)(H,22,25)/t15-/m0/s1.
What are the key properties of (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione?
(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 346.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 167870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).