1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea

C24H30N4O4 — CID 166216514

IUPAC1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)c2)C1=O
InChIInChI=1S/C24H30N4O4/c1-23(2,3)16-11-9-15(10-12-16)19(29)14-25-21(31)26-17-7-6-8-18(13-17)28-20(30)24(4,5)27-22(28)32/h6-13,19,29H,14H2,1-5H3,(H,27,32)(H2,25,26,31)
InChIKeyCCRFTRBAKSTCFY-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea (PubChem CID 166216514) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea
PubChem CID166216514
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)c2)C1=O
InChIInChI=1S/C24H30N4O4/c1-23(2,3)16-11-9-15(10-12-16)19(29)14-25-21(31)26-17-7-6-8-18(13-17)28-20(30)24(4,5)27-22(28)32/h6-13,19,29H,14H2,1-5H3,(H,27,32)(H2,25,26,31)
InChIKeyCCRFTRBAKSTCFY-UHFFFAOYSA-N
XLogP3.67
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea (CID 166216514) is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea is CC1(C)NC(=O)N(c2cccc(NC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)c2)C1=O.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is CCRFTRBAKSTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-23(2,3)16-11-9-15(10-12-16)19(29)14-25-21(31)26-17-7-6-8-18(13-17)28-20(30)24(4,5)27-22(28)32/h6-13,19,29H,14H2,1-5H3,(H,27,32)(H2,25,26,31).
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea?
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 438.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 166216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).