1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

C20H16F2N6O5 — CID 55988029

IUPAC1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2nnnn2-c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H16F2N6O5/c1-2-32-15-6-4-3-5-14(15)27-18(30)17(29)26(20(27)31)11-16-23-24-25-28(16)12-7-9-13(10-8-12)33-19(21)22/h3-10,19H,2,11H2,1H3
InChIKeyWODVUXGUCBGHPQ-UHFFFAOYSA-N
MW458.38 g/mol
LogP2.16
Rot. Bonds8

About 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 55988029) has the molecular formula C20H16F2N6O5 and a molecular weight of 458.38 g/mol. Its IUPAC name is 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID55988029
Molecular FormulaC20H16F2N6O5
Molecular Weight458.38 g/mol
Exact Mass458.12
IUPAC Name1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2nnnn2-c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H16F2N6O5/c1-2-32-15-6-4-3-5-14(15)27-18(30)17(29)26(20(27)31)11-16-23-24-25-28(16)12-7-9-13(10-8-12)33-19(21)22/h3-10,19H,2,11H2,1H3
InChIKeyWODVUXGUCBGHPQ-UHFFFAOYSA-N
XLogP2.16
TPSA119.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]isoindole-1,3-dione
CID 55989826
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 60593622
(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546667
1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione
CID 55753441
1-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55579075
1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
CID 55988919
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55875031
4-(1,3-dioxoisoindol-2-yl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]butanamide
CID 18565603
1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
CID 68956850
(2S)-1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119910715
1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
CID 60558770
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (CID 55988029) is 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2nnnn2-c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is WODVUXGUCBGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O5/c1-2-32-15-6-4-3-5-14(15)27-18(30)17(29)26(20(27)31)11-16-23-24-25-28(16)12-7-9-13(10-8-12)33-19(21)22/h3-10,19H,2,11H2,1H3.
What are the key properties of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 458.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 55988029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).