5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C23H27ClN4O3S — CID 45165780

IUPAC5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccccc3Cl)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C23H27ClN4O3S/c1-3-23(21(30)28(22(31)26-23)13-10-19-15(2)25-14-32-19)16-8-11-27(12-9-16)20(29)17-6-4-5-7-18(17)24/h4-7,14,16H,3,8-13H2,1-2H3,(H,26,31)
InChIKeyMRGIRSFYOKJLAG-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.90
Rot. Bonds6

About 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45165780) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID45165780
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccccc3Cl)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C23H27ClN4O3S/c1-3-23(21(30)28(22(31)26-23)13-10-19-15(2)25-14-32-19)16-8-11-27(12-9-16)20(29)17-6-4-5-7-18(17)24/h4-7,14,16H,3,8-13H2,1-2H3,(H,26,31)
InChIKeyMRGIRSFYOKJLAG-UHFFFAOYSA-N
XLogP3.90
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45165780) is 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3ccccc3Cl)CC2)NC(=O)N(CCc2scnc2C)C1=O.
What is the InChIKey of 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MRGIRSFYOKJLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-3-23(21(30)28(22(31)26-23)13-10-19-15(2)25-14-32-19)16-8-11-27(12-9-16)20(29)17-6-4-5-7-18(17)24/h4-7,14,16H,3,8-13H2,1-2H3,(H,26,31).
What are the key properties of 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 475.01 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45165780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).