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

C20H19ClFN3O — CID 53493762

IUPAC2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
SMILESCC1CCc2ccc(-c3cc(F)cc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C20H19ClFN3O/c1-11-3-4-12-5-6-13(14-7-15(21)10-16(22)8-14)9-17(12)20(11)18(26)25(2)19(23)24-20/h5-11H,3-4H2,1-2H3,(H2,23,24)
InChIKeySRDGCRJVNLIIAE-UHFFFAOYSA-N
MW371.84 g/mol
LogP3.71
Rot. Bonds1

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

2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one (PubChem CID 53493762) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
PubChem CID53493762
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
SMILESCC1CCc2ccc(-c3cc(F)cc(Cl)c3)cc2C12N=C(N)N(C)C2=O
InChIInChI=1S/C20H19ClFN3O/c1-11-3-4-12-5-6-13(14-7-15(21)10-16(22)8-14)9-17(12)20(11)18(26)25(2)19(23)24-20/h5-11H,3-4H2,1-2H3,(H2,23,24)
InChIKeySRDGCRJVNLIIAE-UHFFFAOYSA-N
XLogP3.71
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one (CID 53493762) is 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one is CC1CCc2ccc(-c3cc(F)cc(Cl)c3)cc2C12N=C(N)N(C)C2=O.
What is the InChIKey of 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
The InChIKey is SRDGCRJVNLIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-11-3-4-12-5-6-13(14-7-15(21)10-16(22)8-14)9-17(12)20(11)18(26)25(2)19(23)24-20/h5-11H,3-4H2,1-2H3,(H2,23,24).
What are the key properties of 2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one?
2'-amino-6-(3-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one has a molecular weight of 371.84 g/mol, XLogP of 3.71, 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-chloro-5-fluorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53493762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).