2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

C26H25N3O2 — CID 91445979

IUPAC2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCCN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cccc(C)c4)cc32)N=C1N
InChIInChI=1S/C26H25N3O2/c1-3-29-24(30)26(28-25(29)27)16-23(18-9-5-4-6-10-18)31-22-13-12-20(15-21(22)26)19-11-7-8-17(2)14-19/h4-15,23H,3,16H2,1-2H3,(H2,27,28)
InChIKeyFTFTWPPGQHCIQY-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.56
Rot. Bonds3

About 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (PubChem CID 91445979) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
PubChem CID91445979
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCCN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cccc(C)c4)cc32)N=C1N
InChIInChI=1S/C26H25N3O2/c1-3-29-24(30)26(28-25(29)27)16-23(18-9-5-4-6-10-18)31-22-13-12-20(15-21(22)26)19-11-7-8-17(2)14-19/h4-15,23H,3,16H2,1-2H3,(H2,27,28)
InChIKeyFTFTWPPGQHCIQY-UHFFFAOYSA-N
XLogP4.56
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide
CID 67385010
2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde
CID 143944589
N-[3-(2'-ethyl-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methanesulfonamide
CID 91008519
2-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)benzonitrile
CID 58424375
5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
CID 46178646
(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
3-[2'-amino-2-(2,3-difluorophenyl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 58424175
2'-amino-3'-methyl-10-(3-methylphenyl)spiro[4,5,6,7-tetrahydro-1,3-benzodioxecine-8,5'-imidazole]-4'-one
CID 91360728
2'-amino-6-(3-isocyanophenyl)-3'-methyl-1-oxo-2-phenylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-4'-one
CID 58424318
2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 53493893
2'-amino-6-bromo-2-(3-chlorophenyl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2-(3-chlorophenyl)-3'-methyl-2'-methylsulfanylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 160847081

Frequently Asked Questions

What is the IUPAC name of 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (CID 91445979) is 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is CCN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cccc(C)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The InChIKey is FTFTWPPGQHCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-3-29-24(30)26(28-25(29)27)16-23(18-9-5-4-6-10-18)31-22-13-12-20(15-21(22)26)19-11-7-8-17(2)14-19/h4-15,23H,3,16H2,1-2H3,(H2,27,28).
What are the key properties of 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one has a molecular weight of 411.51 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 91445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).