1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C20H18F2N6O3 — CID 163283142

IUPAC1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(N)c1
InChIInChI=1S/C20H18F2N6O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(23)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(21)22/h3-9,15H,10,23H2,1-2H3
InChIKeyJHNGRBVZCSYCNF-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163283142) has the molecular formula C20H18F2N6O3 and a molecular weight of 428.40 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID163283142
Molecular FormulaC20H18F2N6O3
Molecular Weight428.40 g/mol
Exact Mass428.14
IUPAC Name1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(N)c1
InChIInChI=1S/C20H18F2N6O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(23)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(21)22/h3-9,15H,10,23H2,1-2H3
InChIKeyJHNGRBVZCSYCNF-UHFFFAOYSA-N
XLogP3.40
TPSA118.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 163283142) is 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JHNGRBVZCSYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(23)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(21)22/h3-9,15H,10,23H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 428.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163283142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).