1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione

C16H11ClN4O2 — CID 46181266

IUPAC1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN4O2/c17-10-3-1-9(2-4-10)14-15(22)20-16(23)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
InChIKeyROKHRVRZZBNKGJ-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.01
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione

1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 46181266) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID46181266
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN4O2/c17-10-3-1-9(2-4-10)14-15(22)20-16(23)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
InChIKeyROKHRVRZZBNKGJ-UHFFFAOYSA-N
XLogP3.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione (CID 46181266) is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is ROKHRVRZZBNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-10-3-1-9(2-4-10)14-15(22)20-16(23)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 326.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46181266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).