3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C19H15F3N4O2 — CID 42952401

IUPAC3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O
InChIInChI=1S/C19H15F3N4O2/c1-19(11-6-8-12(20)9-7-11)16(27)25(18(28)24-19)10-15-23-13-4-2-3-5-14(13)26(15)17(21)22/h2-9,17H,10H2,1H3,(H,24,28)
InChIKeyIMJQUDFHBLQIDM-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.54
Rot. Bonds4

About 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42952401) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID42952401
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O
InChIInChI=1S/C19H15F3N4O2/c1-19(11-6-8-12(20)9-7-11)16(27)25(18(28)24-19)10-15-23-13-4-2-3-5-14(13)26(15)17(21)22/h2-9,17H,10H2,1H3,(H,24,28)
InChIKeyIMJQUDFHBLQIDM-UHFFFAOYSA-N
XLogP3.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 25348218
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520323
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 75402600
(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 39041789
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 78828597
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46523676

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 42952401) is 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O.
What is the InChIKey of 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is IMJQUDFHBLQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-19(11-6-8-12(20)9-7-11)16(27)25(18(28)24-19)10-15-23-13-4-2-3-5-14(13)26(15)17(21)22/h2-9,17H,10H2,1H3,(H,24,28).
What are the key properties of 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 388.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42952401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).