2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C22H23ClFN3O — CID 123965637

IUPAC2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCCC1(C)Cc2ccc(-c3cc(F)cc(Cl)c3)cc2C2(C1)N=C(N)N(C)C2=O
InChIInChI=1S/C22H23ClFN3O/c1-4-21(2)11-14-6-5-13(15-7-16(23)10-17(24)8-15)9-18(14)22(12-21)19(28)27(3)20(25)26-22/h5-10H,4,11-12H2,1-3H3,(H2,25,26)
InChIKeyNWKUIDHSPSSSBX-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.49
Rot. Bonds2

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

2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 123965637) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID123965637
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC Name2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCCC1(C)Cc2ccc(-c3cc(F)cc(Cl)c3)cc2C2(C1)N=C(N)N(C)C2=O
InChIInChI=1S/C22H23ClFN3O/c1-4-21(2)11-14-6-5-13(15-7-16(23)10-17(24)8-15)9-18(14)22(12-21)19(28)27(3)20(25)26-22/h5-10H,4,11-12H2,1-3H3,(H2,25,26)
InChIKeyNWKUIDHSPSSSBX-UHFFFAOYSA-N
XLogP4.49
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 66683935
N-[[2'-amino-6-(3-chloro-5-fluorophenyl)-1',2-dimethyl-5'-oxospiro[3H-chromene-4,4'-imidazole]-2-yl]methyl]-N-methylmethanimidamide
CID 123742003
2'-amino-6-(3-chloro-5-fluorophenyl)-2-(2-methoxybutyl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 123916222
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-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 66684136
2'-amino-2,2,3'-trimethyl-6-(3-methylphenyl)spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 53493893
2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989401
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
(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
(4aS,9aR)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one
CID 56949032
2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
CID 53492389
2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989538

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 123965637) is 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is CCC1(C)Cc2ccc(-c3cc(F)cc(Cl)c3)cc2C2(C1)N=C(N)N(C)C2=O.
What is the InChIKey of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is NWKUIDHSPSSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c1-4-21(2)11-14-6-5-13(15-7-16(23)10-17(24)8-15)9-18(14)22(12-21)19(28)27(3)20(25)26-22/h5-10H,4,11-12H2,1-3H3,(H2,25,26).
What are the key properties of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 399.90 g/mol, XLogP of 4.49, 2 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)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 123965637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).