2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

C14H16BrN3O2 — CID 58423762

IUPAC2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)
InChIKeyGCJNGEZDKLVQNN-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.99
Rot. Bonds

About 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 58423762) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID58423762
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)
InChIKeyGCJNGEZDKLVQNN-UHFFFAOYSA-N
XLogP1.99
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 58423762) is 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is GCJNGEZDKLVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17).
What are the key properties of 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 338.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 58423762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).