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

Catalog Number	ACM5453510-1
CAS	5453-51-0
Structure
Description	5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione is a marine derived natural products found in Leptopsammia pruvoti.
Synonyms	(4Z)-4-(1H-indol-3-ylmethylidene)-4H-imidazole-2,5-diol
IUPAC Name	4-Hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one
Molecular Weight	227.22
Canonical SMILES	C1=CC=C2C(=C1)C(=CC3=C(NC(=O)N3)O)C=N2
InChI	InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)/b7-5-
InChI Key	RBTNARRBWGUBEI-ALCCZGGFSA-N
Purity	95%+
Complexity	451
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	227.069476538
Heavy Atom Count	17
Isomeric SMILES	C1=CC=C2C(=C1)/C(=C\C3=C(NC(=O)N3)O)/C=N2
Monoisotopic Mass	227.069476538
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	73.7 Ų