(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one

C19H15BrF3N3O2 — CID 67175701

IUPAC(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESNC1=NC2(C[C@@](CC(F)(F)F)(c3ccccc3)Oc3ccc(Br)cc32)C(=O)N1
InChIInChI=1S/C19H15BrF3N3O2/c20-12-6-7-14-13(8-12)18(15(27)25-16(24)26-18)9-17(28-14,10-19(21,22)23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,24,25,26,27)/t17-,18?/m1/s1
InChIKeyBJKMXFWVQPAFJX-QNSVNVJESA-N
MW454.25 g/mol
LogP3.72
Rot. Bonds2

About (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one

(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one (PubChem CID 67175701) has the molecular formula C19H15BrF3N3O2 and a molecular weight of 454.25 g/mol. Its IUPAC name is (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one.

Molecular Properties

Compound Name(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one
PubChem CID67175701
Molecular FormulaC19H15BrF3N3O2
Molecular Weight454.25 g/mol
Exact Mass453.03
IUPAC Name(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESNC1=NC2(C[C@@](CC(F)(F)F)(c3ccccc3)Oc3ccc(Br)cc32)C(=O)N1
InChIInChI=1S/C19H15BrF3N3O2/c20-12-6-7-14-13(8-12)18(15(27)25-16(24)26-18)9-17(28-14,10-19(21,22)23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,24,25,26,27)/t17-,18?/m1/s1
InChIKeyBJKMXFWVQPAFJX-QNSVNVJESA-N
XLogP3.72
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The IUPAC name of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one (CID 67175701) is (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one.
What is the SMILES notation for (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The canonical SMILES for (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one is NC1=NC2(C[C@@](CC(F)(F)F)(c3ccccc3)Oc3ccc(Br)cc32)C(=O)N1.
What is the InChIKey of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The InChIKey is BJKMXFWVQPAFJX-QNSVNVJESA-N. The full InChI is InChI=1S/C19H15BrF3N3O2/c20-12-6-7-14-13(8-12)18(15(27)25-16(24)26-18)9-17(28-14,10-19(21,22)23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,24,25,26,27)/t17-,18?/m1/s1.
What are the key properties of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one?
(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one has a molecular weight of 454.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one is sourced from PubChem (CID 67175701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).