5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

C27H32ClN3O4 — CID 45206652

IUPAC5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C(C)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32ClN3O4/c1-19(20-8-4-3-5-9-20)24(32)30-14-12-22(13-15-30)27(18-21-10-6-7-11-23(21)28)25(33)31(16-17-35-2)26(34)29-27/h3-11,19,22H,12-18H2,1-2H3,(H,29,34)
InChIKeySGILQPGHMKWOPG-UHFFFAOYSA-N
MW498.02 g/mol
LogP3.86
Rot. Bonds8

About 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45206652) has the molecular formula C27H32ClN3O4 and a molecular weight of 498.02 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45206652
Molecular FormulaC27H32ClN3O4
Molecular Weight498.02 g/mol
Exact Mass497.21
IUPAC Name5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C(C)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32ClN3O4/c1-19(20-8-4-3-5-9-20)24(32)30-14-12-22(13-15-30)27(18-21-10-6-7-11-23(21)28)25(33)31(16-17-35-2)26(34)29-27/h3-11,19,22H,12-18H2,1-2H3,(H,29,34)
InChIKeySGILQPGHMKWOPG-UHFFFAOYSA-N
XLogP3.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.02
LogP ≤ 53.86
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-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45206652) is 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C(C)c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is SGILQPGHMKWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O4/c1-19(20-8-4-3-5-9-20)24(32)30-14-12-22(13-15-30)27(18-21-10-6-7-11-23(21)28)25(33)31(16-17-35-2)26(34)29-27/h3-11,19,22H,12-18H2,1-2H3,(H,29,34).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 498.02 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45206652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).