3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

C19H14F2N6O3 — CID 155547634

IUPAC3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14F2N6O3/c1-19(11-2-5-13(6-3-11)27-10-22-24-25-27)17(29)26(18(30)23-19)9-16(28)14-7-4-12(20)8-15(14)21/h2-8,10H,9H2,1H3,(H,23,30)
InChIKeyFOKOYQIYPHJVER-UHFFFAOYSA-N
MW412.36 g/mol
LogP1.59
Rot. Bonds5

About 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 155547634) has the molecular formula C19H14F2N6O3 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID155547634
Molecular FormulaC19H14F2N6O3
Molecular Weight412.36 g/mol
Exact Mass412.11
IUPAC Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14F2N6O3/c1-19(11-2-5-13(6-3-11)27-10-22-24-25-27)17(29)26(18(30)23-19)9-16(28)14-7-4-12(20)8-15(14)21/h2-8,10H,9H2,1H3,(H,23,30)
InChIKeyFOKOYQIYPHJVER-UHFFFAOYSA-N
XLogP1.59
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 155547634) is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is CC1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is FOKOYQIYPHJVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O3/c1-19(11-2-5-13(6-3-11)27-10-22-24-25-27)17(29)26(18(30)23-19)9-16(28)14-7-4-12(20)8-15(14)21/h2-8,10H,9H2,1H3,(H,23,30).
What are the key properties of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 412.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155547634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).