2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one

C20H20ClN3O — CID 66683613

IUPAC2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
SMILESCC1CCc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C20H20ClN3O/c1-12-6-7-13-8-9-15(14-4-3-5-16(21)10-14)11-17(13)20(12)18(25)24(2)19(22)23-20/h3-5,8-12H,6-7H2,1-2H3,(H2,22,23)
InChIKeyPKXRFOLXHBEWDK-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.57
Rot. Bonds1

About 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one

2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one (PubChem CID 66683613) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
PubChem CID66683613
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
SMILESCC1CCc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C20H20ClN3O/c1-12-6-7-13-8-9-15(14-4-3-5-16(21)10-14)11-17(13)20(12)18(25)24(2)19(22)23-20/h3-5,8-12H,6-7H2,1-2H3,(H2,22,23)
InChIKeyPKXRFOLXHBEWDK-UHFFFAOYSA-N
XLogP3.57
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one (CID 66683613) is 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one is CC1CCc2ccc(-c3cccc(Cl)c3)cc2C12N=C(N)N(C)C2=O.
What is the InChIKey of 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The InChIKey is PKXRFOLXHBEWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-12-6-7-13-8-9-15(14-4-3-5-16(21)10-14)11-17(13)20(12)18(25)24(2)19(22)23-20/h3-5,8-12H,6-7H2,1-2H3,(H2,22,23).
What are the key properties of 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one has a molecular weight of 353.85 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 66683613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).