1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea

C24H26Cl4N4O3 — CID 3468223

IUPAC1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H26Cl4N4O3/c1-24(2)21(32(35)22(33)29-14-8-10-17(25)19(27)12-14)30(16-9-11-18(26)20(28)13-16)23(34)31(24)15-6-4-3-5-7-15/h8-13,15,21,35H,3-7H2,1-2H3,(H,29,33)
InChIKeyPYMJUQAHFUJSHQ-UHFFFAOYSA-N
MW560.31 g/mol
LogP7.90
Rot. Bonds4

About 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea

1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea (PubChem CID 3468223) has the molecular formula C24H26Cl4N4O3 and a molecular weight of 560.31 g/mol. Its IUPAC name is 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
PubChem CID3468223
Molecular FormulaC24H26Cl4N4O3
Molecular Weight560.31 g/mol
Exact Mass558.08
IUPAC Name1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H26Cl4N4O3/c1-24(2)21(32(35)22(33)29-14-8-10-17(25)19(27)12-14)30(16-9-11-18(26)20(28)13-16)23(34)31(24)15-6-4-3-5-7-15/h8-13,15,21,35H,3-7H2,1-2H3,(H,29,33)
InChIKeyPYMJUQAHFUJSHQ-UHFFFAOYSA-N
XLogP7.90
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.31
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dichlorophenyl)-1-[(4S)-3-(3,4-dichlorophenyl)-1-heptyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98380410
1-[(4R)-3-(3-chlorophenyl)-1-hydroxy-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 40879539
2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
CID 2829484
3-(3,4-dichlorophenyl)-1-[(4R)-5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
CID 1115532
3-(3,4-dichlorophenyl)-1-[(4S)-5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
CID 1115531
3-(3,4-dichlorophenyl)-1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
CID 2829492
N,1,3-tris(3,4-dichlorophenyl)-2,4-dioxo-6,7,8,9a-tetrahydropyrimido[1,2-a][1,3,5]triazine-9-carboxamide
CID 3588078
CID 88605382
CID 88605382
methyl 4-[(4R)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]butanoate
CID 40951227
2-[(5S)-3-cycloheptyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1217857
1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 3705309
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The IUPAC name of 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea (CID 3468223) is 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea.
What is the SMILES notation for 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The canonical SMILES for 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea is CC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The InChIKey is PYMJUQAHFUJSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl4N4O3/c1-24(2)21(32(35)22(33)29-14-8-10-17(25)19(27)12-14)30(16-9-11-18(26)20(28)13-16)23(34)31(24)15-6-4-3-5-7-15/h8-13,15,21,35H,3-7H2,1-2H3,(H,29,33).
What are the key properties of 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea?
1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea has a molecular weight of 560.31 g/mol, XLogP of 7.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea is sourced from PubChem (CID 3468223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).