1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one

C16H11F3N4O — CID 51029854

IUPAC1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one
SMILESO=C1NCN(c2ccc3nc[nH]c3c2)C1c1cc(F)cc(F)c1F
InChIInChI=1S/C16H11F3N4O/c17-8-3-10(14(19)11(18)4-8)15-16(24)22-7-23(15)9-1-2-12-13(5-9)21-6-20-12/h1-6,15H,7H2,(H,20,21)(H,22,24)
InChIKeyBRQLZTQDJCRVLF-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.62
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one

1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one (PubChem CID 51029854) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one
PubChem CID51029854
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one
SMILESO=C1NCN(c2ccc3nc[nH]c3c2)C1c1cc(F)cc(F)c1F
InChIInChI=1S/C16H11F3N4O/c17-8-3-10(14(19)11(18)4-8)15-16(24)22-7-23(15)9-1-2-12-13(5-9)21-6-20-12/h1-6,15H,7H2,(H,20,21)(H,22,24)
InChIKeyBRQLZTQDJCRVLF-UHFFFAOYSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3H-benzimidazol-5-yl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46181119
1-(3H-benzimidazol-5-yl)-4-cyclohexylimino-5-(2,3-difluorophenyl)pyrrolidin-2-one
CID 123353333
1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
CID 51030777
1-(3H-benzimidazol-5-yl)diazinan-3-one
CID 154416908
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953
1-(3H-benzimidazol-5-yl)-5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidine-2,4-dione
CID 146438895
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole
CID 51030311
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-5-sulfanyl-1H-imidazol-2-one
CID 91401540
1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one
CID 58229090
1-(3H-benzimidazol-5-yl)-5-(2,3-difluorophenyl)-4-(2,2-dimethylpropanoyl)pyrrolidine-2,3-dione
CID 123226027
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
1-(3H-benzimidazol-5-yl)-5-(3-phenylphenyl)imidazolidin-2-one
CID 58229098

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one (CID 51029854) is 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one is O=C1NCN(c2ccc3nc[nH]c3c2)C1c1cc(F)cc(F)c1F.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one?
The InChIKey is BRQLZTQDJCRVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-8-3-10(14(19)11(18)4-8)15-16(24)22-7-23(15)9-1-2-12-13(5-9)21-6-20-12/h1-6,15H,7H2,(H,20,21)(H,22,24).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one?
1-(3H-benzimidazol-5-yl)-5-(2,3,5-trifluorophenyl)imidazolidin-4-one has a molecular weight of 332.29 g/mol, XLogP of 2.62, 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-(2,3,5-trifluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 51029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).