(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one
CID 87298473
CID 158015033
CID 158015033
(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 123841237
CID 58424324
CID 58424324
CID 58424261
CID 58424261
(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
CID 95655142
2-methyl-4,4-bis(2-methylsulfonylethyl)-2-propylchromen-3-one;piperidine
CID 70577659
(2R,4S)-2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;(2S,4S)-2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-3'-methyl-2'-methylsulfanyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 159265357
2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;(3-propanoylphenyl)boronic acid
CID 123873643
CID 58197589
CID 58197589
3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
CID 10270116
5-bromo-2'-(2-chlorophenyl)-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 175097464

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).