2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C22H25N3O — CID 53493893

IUPAC2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25N3O/c1-14-6-5-7-15(10-14)16-8-9-17-12-21(2,3)13-22(18(17)11-16)19(26)25(4)20(23)24-22/h5-11H,12-13H2,1-4H3,(H2,23,24)
InChIKeyUHDVFNOGDJHIME-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.62
Rot. Bonds1

About 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 53493893) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID53493893
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25N3O/c1-14-6-5-7-15(10-14)16-8-9-17-12-21(2,3)13-22(18(17)11-16)19(26)25(4)20(23)24-22/h5-11H,12-13H2,1-4H3,(H2,23,24)
InChIKeyUHDVFNOGDJHIME-UHFFFAOYSA-N
XLogP3.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 53493893) is 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is Cc1cccc(-c2ccc3c(c2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is UHDVFNOGDJHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-6-5-7-15(10-14)16-8-9-17-12-21(2,3)13-22(18(17)11-16)19(26)25(4)20(23)24-22/h5-11H,12-13H2,1-4H3,(H2,23,24).
What are the key properties of 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 347.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53493893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).