3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea

C28H30Cl2N4O5 — CID 4976953

IUPAC3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCOc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC
InChIInChI=1S/C28H30Cl2N4O5/c1-28(2)25(34(37)26(35)31-21-9-5-7-19(29)16-21)33(22-10-6-8-20(30)17-22)27(36)32(28)14-13-18-11-12-23(38-3)24(15-18)39-4/h5-12,15-17,25,37H,13-14H2,1-4H3,(H,31,35)
InChIKeyDAESTBZRTOZUOE-UHFFFAOYSA-N
MW573.48 g/mol
LogP6.52
Rot. Bonds8

About 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea

3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (PubChem CID 4976953) has the molecular formula C28H30Cl2N4O5 and a molecular weight of 573.48 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
PubChem CID4976953
Molecular FormulaC28H30Cl2N4O5
Molecular Weight573.48 g/mol
Exact Mass572.16
IUPAC Name3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCOc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC
InChIInChI=1S/C28H30Cl2N4O5/c1-28(2)25(34(37)26(35)31-21-9-5-7-19(29)16-21)33(22-10-6-8-20(30)17-22)27(36)32(28)14-13-18-11-12-23(38-3)24(15-18)39-4/h5-12,15-17,25,37H,13-14H2,1-4H3,(H,31,35)
InChIKeyDAESTBZRTOZUOE-UHFFFAOYSA-N
XLogP6.52
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.48
LogP ≤ 56.52
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

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
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 26442979
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98379520
5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
CID 98307424
1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877409
1-[5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4678976
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
3-(3-chlorophenyl)-1-hydroxy-1-[(4R)-3-[(2-methoxyphenyl)methyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea
CID 40879562
3-(3-chlorophenyl)-1-hydroxy-1-[3-[(2-methoxyphenyl)methyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea
CID 3780793
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione
CID 4976751

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The IUPAC name of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (CID 4976953) is 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC.
What is the InChIKey of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The InChIKey is DAESTBZRTOZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O5/c1-28(2)25(34(37)26(35)31-21-9-5-7-19(29)16-21)33(22-10-6-8-20(30)17-22)27(36)32(28)14-13-18-11-12-23(38-3)24(15-18)39-4/h5-12,15-17,25,37H,13-14H2,1-4H3,(H,31,35).
What are the key properties of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 573.48 g/mol, XLogP of 6.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 4976953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).