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

C19H17ClN6O3 — CID 42918836

IUPAC3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17ClN6O3/c1-19(13-3-2-4-15(11-13)26-12-21-23-24-26)17(27)25(18(28)22-19)9-10-29-16-7-5-14(20)6-8-16/h2-8,11-12H,9-10H2,1H3,(H,22,28)
InChIKeyLECZZNXTKHEYEK-UHFFFAOYSA-N
MW412.84 g/mol
LogP2.16
Rot. Bonds6

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

3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 42918836) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID42918836
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC Name3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17ClN6O3/c1-19(13-3-2-4-15(11-13)26-12-21-23-24-26)17(27)25(18(28)22-19)9-10-29-16-7-5-14(20)6-8-16/h2-8,11-12H,9-10H2,1H3,(H,22,28)
InChIKeyLECZZNXTKHEYEK-UHFFFAOYSA-N
XLogP2.16
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41111698
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40804493
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196469
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 42918836) is 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is CC1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is LECZZNXTKHEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-19(13-3-2-4-15(11-13)26-12-21-23-24-26)17(27)25(18(28)22-19)9-10-29-16-7-5-14(20)6-8-16/h2-8,11-12H,9-10H2,1H3,(H,22,28).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 412.84 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42918836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).