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

C26H26Cl2N4O4 — CID 3720965

IUPAC3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCOc1ccc(CN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1
InChIInChI=1S/C26H26Cl2N4O4/c1-26(2)23(32(35)24(33)29-20-8-4-6-18(27)14-20)31(21-9-5-7-19(28)15-21)25(34)30(26)16-17-10-12-22(36-3)13-11-17/h4-15,23,35H,16H2,1-3H3,(H,29,33)
InChIKeyCRPZYUJCRWARDO-UHFFFAOYSA-N
MW529.42 g/mol
LogP6.47
Rot. Bonds6

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

3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (PubChem CID 3720965) has the molecular formula C26H26Cl2N4O4 and a molecular weight of 529.42 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
PubChem CID3720965
Molecular FormulaC26H26Cl2N4O4
Molecular Weight529.42 g/mol
Exact Mass528.13
IUPAC Name3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCOc1ccc(CN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1
InChIInChI=1S/C26H26Cl2N4O4/c1-26(2)23(32(35)24(33)29-20-8-4-6-18(27)14-20)31(21-9-5-7-19(28)15-21)25(34)30(26)16-17-10-12-22(36-3)13-11-17/h4-15,23,35H,16H2,1-3H3,(H,29,33)
InChIKeyCRPZYUJCRWARDO-UHFFFAOYSA-N
XLogP6.47
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.42
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98379520
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3263607
1-hydroxy-1-[(4S)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98377381
1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 3705309
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 4976953
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 40879399
1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 26442979
1-[(4S)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 98308729
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-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
1-[(4R)-3-(3-chlorophenyl)-1-hydroxy-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 40879539

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The IUPAC name of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (CID 3720965) is 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is COc1ccc(CN2C(=O)N(c3cccc(Cl)c3)C(N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The InChIKey is CRPZYUJCRWARDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4/c1-26(2)23(32(35)24(33)29-20-8-4-6-18(27)14-20)31(21-9-5-7-19(28)15-21)25(34)30(26)16-17-10-12-22(36-3)13-11-17/h4-15,23,35H,16H2,1-3H3,(H,29,33).
What are the key properties of 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 529.42 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 3720965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).