1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C17H10ClF3N4O2 — CID 46181194

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N4O2/c18-11-3-1-8(5-10(11)17(19,20)21)14-15(26)24-16(27)25(14)9-2-4-12-13(6-9)23-7-22-12/h1-7,14H,(H,22,23)(H,24,26,27)
InChIKeyMXPHBFZARPUTMB-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.03
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 46181194) has the molecular formula C17H10ClF3N4O2 and a molecular weight of 394.74 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID46181194
Molecular FormulaC17H10ClF3N4O2
Molecular Weight394.74 g/mol
Exact Mass394.04
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N4O2/c18-11-3-1-8(5-10(11)17(19,20)21)14-15(26)24-16(27)25(14)9-2-4-12-13(6-9)23-7-22-12/h1-7,14H,(H,22,23)(H,24,26,27)
InChIKeyMXPHBFZARPUTMB-UHFFFAOYSA-N
XLogP4.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.03
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-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 46181194) is 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is MXPHBFZARPUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O2/c18-11-3-1-8(5-10(11)17(19,20)21)14-15(26)24-16(27)25(14)9-2-4-12-13(6-9)23-7-22-12/h1-7,14H,(H,22,23)(H,24,26,27).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 394.74 g/mol, XLogP of 4.03, 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-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46181194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).