1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione

C12H9BrN4O2 — CID 135788219

IUPAC1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1
InChIInChI=1S/C12H9BrN4O2/c13-8-1-2-10-9(3-8)7(4-14-10)5-15-17-6-11(18)16-12(17)19/h1-5,14H,6H2,(H,16,18,19)/b15-5+
InChIKeyARCSTWQBMZXEAM-PJQLUOCWSA-N
MW321.13 g/mol
LogP1.82
Rot. Bonds2

About 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione

1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 135788219) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID135788219
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC Name1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1
InChIInChI=1S/C12H9BrN4O2/c13-8-1-2-10-9(3-8)7(4-14-10)5-15-17-6-11(18)16-12(17)19/h1-5,14H,6H2,(H,16,18,19)/b15-5+
InChIKeyARCSTWQBMZXEAM-PJQLUOCWSA-N
XLogP1.82
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351164
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9350913
5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 172990751
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
CID 135676058
3-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729426
6-bromo-3-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-[(2S)-butan-2-yl]quinazolin-4-one
CID 137160403
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 136732774
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 951959

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione (CID 135788219) is 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1.
What is the InChIKey of 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is ARCSTWQBMZXEAM-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-8-1-2-10-9(3-8)7(4-14-10)5-15-17-6-11(18)16-12(17)19/h1-5,14H,6H2,(H,16,18,19)/b15-5+.
What are the key properties of 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 321.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 135788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).