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

C20H20BrN3O2 — CID 67175919

IUPAC(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESCCC[C@]1(c2ccccc2)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C20H20BrN3O2/c1-2-10-19(13-6-4-3-5-7-13)12-20(17(25)23-18(22)24-20)15-11-14(21)8-9-16(15)26-19/h3-9,11H,2,10,12H2,1H3,(H3,22,23,24,25)/t19-,20?/m1/s1
InChIKeyKDIWNWUPWCXMAO-FIWHBWSRSA-N
MW414.30 g/mol
LogP3.57
Rot. Bonds3

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

(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (PubChem CID 67175919) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.

Molecular Properties

Compound Name(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
PubChem CID67175919
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESCCC[C@]1(c2ccccc2)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C20H20BrN3O2/c1-2-10-19(13-6-4-3-5-7-13)12-20(17(25)23-18(22)24-20)15-11-14(21)8-9-16(15)26-19/h3-9,11H,2,10,12H2,1H3,(H3,22,23,24,25)/t19-,20?/m1/s1
InChIKeyKDIWNWUPWCXMAO-FIWHBWSRSA-N
XLogP3.57
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.57
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'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The IUPAC name of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (CID 67175919) is (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.
What is the SMILES notation for (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The canonical SMILES for (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is CCC[C@]1(c2ccccc2)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1.
What is the InChIKey of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The InChIKey is KDIWNWUPWCXMAO-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-2-10-19(13-6-4-3-5-7-13)12-20(17(25)23-18(22)24-20)15-11-14(21)8-9-16(15)26-19/h3-9,11H,2,10,12H2,1H3,(H3,22,23,24,25)/t19-,20?/m1/s1.
What are the key properties of (2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one has a molecular weight of 414.30 g/mol, XLogP of 3.57, 3 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'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is sourced from PubChem (CID 67175919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).