5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C19H22ClN3O2S — CID 56521213

IUPAC5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CCc1nc(CN2C(=O)NC(C)(c3cccc(Cl)c3)C2=O)cs1
InChIInChI=1S/C19H22ClN3O2S/c1-12(2)7-8-16-21-15(11-26-16)10-23-17(24)19(3,22-18(23)25)13-5-4-6-14(20)9-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,25)
InChIKeyVIAKNCVOAUQMLZ-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.35
Rot. Bonds6

About 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56521213) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID56521213
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CCc1nc(CN2C(=O)NC(C)(c3cccc(Cl)c3)C2=O)cs1
InChIInChI=1S/C19H22ClN3O2S/c1-12(2)7-8-16-21-15(11-26-16)10-23-17(24)19(3,22-18(23)25)13-5-4-6-14(20)9-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,25)
InChIKeyVIAKNCVOAUQMLZ-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 56521213) is 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is CC(C)CCc1nc(CN2C(=O)NC(C)(c3cccc(Cl)c3)C2=O)cs1.
What is the InChIKey of 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is VIAKNCVOAUQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-12(2)7-8-16-21-15(11-26-16)10-23-17(24)19(3,22-18(23)25)13-5-4-6-14(20)9-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,25).
What are the key properties of 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 391.92 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56521213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).