5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C17H19ClN4O3 — CID 46528627

IUPAC5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(C(C)C)no2)C1=O
InChIInChI=1S/C17H19ClN4O3/c1-4-17(11-5-7-12(18)8-6-11)15(23)22(16(24)20-17)9-13-19-14(10(2)3)21-25-13/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyMMPMYFBBKCPACO-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.20
Rot. Bonds5

About 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46528627) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID46528627
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(C(C)C)no2)C1=O
InChIInChI=1S/C17H19ClN4O3/c1-4-17(11-5-7-12(18)8-6-11)15(23)22(16(24)20-17)9-13-19-14(10(2)3)21-25-13/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyMMPMYFBBKCPACO-UHFFFAOYSA-N
XLogP3.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999
5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 18166881
5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
CID 47011236
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5R)-5-(2-fluorophenyl)-5-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 94815184
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227984

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 46528627) is 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(C(C)C)no2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is MMPMYFBBKCPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-4-17(11-5-7-12(18)8-6-11)15(23)22(16(24)20-17)9-13-19-14(10(2)3)21-25-13/h5-8,10H,4,9H2,1-3H3,(H,20,24).
What are the key properties of 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 362.82 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46528627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).