1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione

C19H26F2N2O2 — CID 176613572

IUPAC1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(Cc2ccc(F)c(F)c2)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C19H26F2N2O2/c1-11(2)19(12(3)4)17(24)23(13(5)6)18(25)22(19)10-14-7-8-15(20)16(21)9-14/h7-9,11-13H,10H2,1-6H3
InChIKeyQOTTXVOVKJXNHV-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.19
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione

1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione (PubChem CID 176613572) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
PubChem CID176613572
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(Cc2ccc(F)c(F)c2)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C19H26F2N2O2/c1-11(2)19(12(3)4)17(24)23(13(5)6)18(25)22(19)10-14-7-8-15(20)16(21)9-14/h7-9,11-13H,10H2,1-6H3
InChIKeyQOTTXVOVKJXNHV-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2437068
3-[[3-(Trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622711
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 5034100
3-(4-Fluorobenzyl)imidazolidine-2,4-dione
CID 835217
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(2-fluoro-benzylamide)
CID 644996
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylacetamide
CID 2372376
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
CID 3743019

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione (CID 176613572) is 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione is CC(C)N1C(=O)N(Cc2ccc(F)c(F)c2)C(C(C)C)(C(C)C)C1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The InChIKey is QOTTXVOVKJXNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-11(2)19(12(3)4)17(24)23(13(5)6)18(25)22(19)10-14-7-8-15(20)16(21)9-14/h7-9,11-13H,10H2,1-6H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione has a molecular weight of 352.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 176613572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).