(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

C25H22ClN3O2 — CID 123841237

IUPAC(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESC[C@]1(Cc2ccccc2)C[C@@]2(N=C(N)NC2=O)c2cc(-c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C25H22ClN3O2/c1-24(14-16-6-3-2-4-7-16)15-25(22(30)28-23(27)29-25)20-13-18(10-11-21(20)31-24)17-8-5-9-19(26)12-17/h2-13H,14-15H2,1H3,(H3,27,28,29,30)/t24-,25+/m0/s1
InChIKeyHZQZUGSRPMGEPK-LOSJGSFVSA-N
MW431.92 g/mol
LogP4.43
Rot. Bonds3

About (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (PubChem CID 123841237) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.

Molecular Properties

Compound Name(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
PubChem CID123841237
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESC[C@]1(Cc2ccccc2)C[C@@]2(N=C(N)NC2=O)c2cc(-c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C25H22ClN3O2/c1-24(14-16-6-3-2-4-7-16)15-25(22(30)28-23(27)29-25)20-13-18(10-11-21(20)31-24)17-8-5-9-19(26)12-17/h2-13H,14-15H2,1H3,(H3,27,28,29,30)/t24-,25+/m0/s1
InChIKeyHZQZUGSRPMGEPK-LOSJGSFVSA-N
XLogP4.43
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 53246312
2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989401
2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989538
(2'R)-2-amino-6'-bromo-2'-phenyl-2'-propylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 67175919
(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 123793261
4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine
CID 141028648
2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 75989680
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 53491838
2-[(3-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carboxylic acid
CID 175662582
2'-amino-10-(3-chlorophenyl)-3'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-imidazole]-4'-one
CID 91141040
2-amino-4,4-dibenzyl-1H-imidazol-5-one
CID 82988396

Frequently Asked Questions

What is the IUPAC name of (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The IUPAC name of (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (CID 123841237) is (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.
What is the SMILES notation for (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The canonical SMILES for (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is C[C@]1(Cc2ccccc2)C[C@@]2(N=C(N)NC2=O)c2cc(-c3cccc(Cl)c3)ccc2O1.
What is the InChIKey of (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The InChIKey is HZQZUGSRPMGEPK-LOSJGSFVSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-24(14-16-6-3-2-4-7-16)15-25(22(30)28-23(27)29-25)20-13-18(10-11-21(20)31-24)17-8-5-9-19(26)12-17/h2-13H,14-15H2,1H3,(H3,27,28,29,30)/t24-,25+/m0/s1.
What are the key properties of (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one has a molecular weight of 431.92 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is sourced from PubChem (CID 123841237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).