3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione

C21H21BrN2O2 — CID 6620738

IUPAC3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C21H21BrN2O2/c1-21(2,3)16-8-4-14(5-9-16)12-18-19(25)24(20(26)23-18)13-15-6-10-17(22)11-7-15/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyWKQLNWRXWVQKKM-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.84
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione

3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6620738) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6620738
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C21H21BrN2O2/c1-21(2,3)16-8-4-14(5-9-16)12-18-19(25)24(20(26)23-18)13-15-6-10-17(22)11-7-15/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyWKQLNWRXWVQKKM-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604
methyl 4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 6375905
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860
3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2910779
3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
CID 2925774
3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 3868898
2-[(4E)-4-[(4-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124664677
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2913448
(5E)-3-[(4-bromophenyl)methyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6183720
3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 1322343
(5E)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 68648545

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione (CID 6620738) is 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione is CC(C)(C)c1ccc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is WKQLNWRXWVQKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-21(2,3)16-8-4-14(5-9-16)12-18-19(25)24(20(26)23-18)13-15-6-10-17(22)11-7-15/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione?
3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 413.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6620738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).