1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea

C24H32N4O3 — CID 5191444

IUPAC1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESCCCCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C24H32N4O3/c1-6-7-16-26-23(30)27(20-14-10-18(3)11-15-20)21(24(26,4)5)28(31)22(29)25-19-12-8-17(2)9-13-19/h8-15,21,31H,6-7,16H2,1-5H3,(H,25,29)
InChIKeyDPBKVQHUBMFQET-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.37
Rot. Bonds6

About 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea

1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (PubChem CID 5191444) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
PubChem CID5191444
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESCCCCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C24H32N4O3/c1-6-7-16-26-23(30)27(20-14-10-18(3)11-15-20)21(24(26,4)5)28(31)22(29)25-19-12-8-17(2)9-13-19/h8-15,21,31H,6-7,16H2,1-5H3,(H,25,29)
InChIKeyDPBKVQHUBMFQET-UHFFFAOYSA-N
XLogP5.37
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.37
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

1-[5,5-dimethyl-3-(4-methylphenyl)-1-octyl-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3265467
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
3-(3,4-dichlorophenyl)-1-[(4S)-3-(3,4-dichlorophenyl)-1-heptyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98380410
2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
CID 7147940
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3999658
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
1-[(4S)-1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7340170
1-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
CID 3316950

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (CID 5191444) is 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is CCCCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C.
What is the InChIKey of 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The InChIKey is DPBKVQHUBMFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-7-16-26-23(30)27(20-14-10-18(3)11-15-20)21(24(26,4)5)28(31)22(29)25-19-12-8-17(2)9-13-19/h8-15,21,31H,6-7,16H2,1-5H3,(H,25,29).
What are the key properties of 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea has a molecular weight of 424.55 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is sourced from PubChem (CID 5191444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).