5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione

C14H15BrN2O2 — CID 54398318

IUPAC5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=Cc2ccccc2Br)C1=O
InChIInChI=1S/C14H15BrN2O2/c1-2-3-8-17-13(18)12(16-14(17)19)9-10-6-4-5-7-11(10)15/h4-7,9H,2-3,8H2,1H3,(H,16,19)
InChIKeyVLPOFNPPPSHEKV-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.14
Rot. Bonds4

About 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione

5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione (PubChem CID 54398318) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
PubChem CID54398318
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=Cc2ccccc2Br)C1=O
InChIInChI=1S/C14H15BrN2O2/c1-2-3-8-17-13(18)12(16-14(17)19)9-10-6-4-5-7-11(10)15/h4-7,9H,2-3,8H2,1H3,(H,16,19)
InChIKeyVLPOFNPPPSHEKV-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.14
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

(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
2-[(4E)-4-[(2-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124661169
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
(5E)-3-butyl-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545490
(5E)-5-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126236759
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5Z)-3-butyl-5-ethylideneimidazolidine-2,4-dione
CID 12767212
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 5041108
(5E)-3-butyl-5-[(2-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545503

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione?
The IUPAC name of 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione (CID 54398318) is 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione is CCCCN1C(=O)NC(=Cc2ccccc2Br)C1=O.
What is the InChIKey of 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione?
The InChIKey is VLPOFNPPPSHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-3-8-17-13(18)12(16-14(17)19)9-10-6-4-5-7-11(10)15/h4-7,9H,2-3,8H2,1H3,(H,16,19).
What are the key properties of 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione?
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione has a molecular weight of 323.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione is sourced from PubChem (CID 54398318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).