methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate

C23H26Cl2N4O5 — CID 40951227

IUPACmethyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate
SMILESCOC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C23H26Cl2N4O5/c1-23(2)20(29(33)21(31)26-17-10-6-15(24)7-11-17)28(18-12-8-16(25)9-13-18)22(32)27(23)14-4-5-19(30)34-3/h6-13,20,33H,4-5,14H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyOHZQIDDAZNMKHZ-HXUWFJFHSA-N
MW509.39 g/mol
LogP5.22
Rot. Bonds7

About methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate

methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate (PubChem CID 40951227) has the molecular formula C23H26Cl2N4O5 and a molecular weight of 509.39 g/mol. Its IUPAC name is methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate
PubChem CID40951227
Molecular FormulaC23H26Cl2N4O5
Molecular Weight509.39 g/mol
Exact Mass508.13
IUPAC Namemethyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate
SMILESCOC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C23H26Cl2N4O5/c1-23(2)20(29(33)21(31)26-17-10-6-15(24)7-11-17)28(18-12-8-16(25)9-13-18)22(32)27(23)14-4-5-19(30)34-3/h6-13,20,33H,4-5,14H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyOHZQIDDAZNMKHZ-HXUWFJFHSA-N
XLogP5.22
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.39
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444
1-[5,5-dimethyl-3-(4-methylphenyl)-1-octyl-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3265467
5-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 3653611
3-(3,4-dichlorophenyl)-1-[(4S)-3-(3,4-dichlorophenyl)-1-heptyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98380410
N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3999658
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
methyl 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 3749978
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3263607
1-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
CID 134140577

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate?
The IUPAC name of methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate (CID 40951227) is methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate is COC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C.
What is the InChIKey of methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate?
The InChIKey is OHZQIDDAZNMKHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26Cl2N4O5/c1-23(2)20(29(33)21(31)26-17-10-6-15(24)7-11-17)28(18-12-8-16(25)9-13-18)22(32)27(23)14-4-5-19(30)34-3/h6-13,20,33H,4-5,14H2,1-3H3,(H,26,31)/t20-/m1/s1.
What are the key properties of methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate?
methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate has a molecular weight of 509.39 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate is sourced from PubChem (CID 40951227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).