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

C27H32ClN3O4 — CID 45184206

IUPAC5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1=O
InChIInChI=1S/C27H32ClN3O4/c1-18-14-19(2)16-21(15-18)24(32)30-10-8-22(9-11-30)27(17-20-6-4-5-7-23(20)28)25(33)31(12-13-35-3)26(34)29-27/h4-7,14-16,22H,8-13,17H2,1-3H3,(H,29,34)
InChIKeyHZYVHQDWLKWJJP-UHFFFAOYSA-N
MW498.02 g/mol
LogP3.99
Rot. Bonds7

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

5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 45184206) has the molecular formula C27H32ClN3O4 and a molecular weight of 498.02 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID45184206
Molecular FormulaC27H32ClN3O4
Molecular Weight498.02 g/mol
Exact Mass497.21
IUPAC Name5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1=O
InChIInChI=1S/C27H32ClN3O4/c1-18-14-19(2)16-21(15-18)24(32)30-10-8-22(9-11-30)27(17-20-6-4-5-7-23(20)28)25(33)31(12-13-35-3)26(34)29-27/h4-7,14-16,22H,8-13,17H2,1-3H3,(H,29,34)
InChIKeyHZYVHQDWLKWJJP-UHFFFAOYSA-N
XLogP3.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.02
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 74803749
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42468381
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 45196872
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45183370
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 26329509
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 42369335
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45178399
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 42342271
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 45211435
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165952

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 45184206) is 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is HZYVHQDWLKWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O4/c1-18-14-19(2)16-21(15-18)24(32)30-10-8-22(9-11-30)27(17-20-6-4-5-7-23(20)28)25(33)31(12-13-35-3)26(34)29-27/h4-7,14-16,22H,8-13,17H2,1-3H3,(H,29,34).
What are the key properties of 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 498.02 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45184206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).