3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

C25H21F2N3O3 — CID 42944281

IUPAC3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C25H21F2N3O3/c1-25(19-12-15(26)10-11-20(19)27)23(32)30(24(33)28-25)14-16(31)13-29-21-8-4-2-6-17(21)18-7-3-5-9-22(18)29/h2-12,16,31H,13-14H2,1H3,(H,28,33)
InChIKeyQSULWKVZZNHWJU-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.90
Rot. Bonds5

About 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42944281) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID42944281
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C25H21F2N3O3/c1-25(19-12-15(26)10-11-20(19)27)23(32)30(24(33)28-25)14-16(31)13-29-21-8-4-2-6-17(21)18-7-3-5-9-22(18)29/h2-12,16,31H,13-14H2,1H3,(H,28,33)
InChIKeyQSULWKVZZNHWJU-UHFFFAOYSA-N
XLogP3.90
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 47094642
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
CID 111469955
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7801292
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 42944281) is 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)C1=O.
What is the InChIKey of 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is QSULWKVZZNHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-25(19-12-15(26)10-11-20(19)27)23(32)30(24(33)28-25)14-16(31)13-29-21-8-4-2-6-17(21)18-7-3-5-9-22(18)29/h2-12,16,31H,13-14H2,1H3,(H,28,33).
What are the key properties of 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 449.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42944281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).