2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one

C22H23ClFN3O2 — CID 58425050

IUPAC2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
SMILESCC1(CCC(=O)CCc2cccc(F)c2)N=C(N)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C22H23ClFN3O2/c1-22(11-10-19(28)9-8-15-4-3-7-18(24)13-15)20(29)27(21(25)26-22)14-16-5-2-6-17(23)12-16/h2-7,12-13H,8-11,14H2,1H3,(H2,25,26)
InChIKeyQLLNXZMOBWQOPG-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.88
Rot. Bonds8

About 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one

2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one (PubChem CID 58425050) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
PubChem CID58425050
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
SMILESCC1(CCC(=O)CCc2cccc(F)c2)N=C(N)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C22H23ClFN3O2/c1-22(11-10-19(28)9-8-15-4-3-7-18(24)13-15)20(29)27(21(25)26-22)14-16-5-2-6-17(23)12-16/h2-7,12-13H,8-11,14H2,1H3,(H2,25,26)
InChIKeyQLLNXZMOBWQOPG-UHFFFAOYSA-N
XLogP3.88
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
CID 58425289
2-amino-3-[[4-[4-(2,3-dichlorophenyl)-3-oxobutyl]-3-fluorophenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 58425323
2-amino-5-methyl-5-(2-methylpropyl)-3-[[4-(2-oxo-4-phenylbutyl)phenyl]methyl]imidazol-4-one
CID 58425126
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
CID 90943143
N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 118017131
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
CID 58425166
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
3-[(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)methyl]-N-[(3-chlorophenyl)methyl]-5-fluorobenzamide
CID 78165259
3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
CID 58425093
2-amino-5-butyl-3-[[4-(3-oxooctyl)phenyl]methyl]-5-propan-2-ylimidazol-4-one
CID 58425116
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
5-amino-N-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386138

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one?
The IUPAC name of 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one (CID 58425050) is 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one?
The canonical SMILES for 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one is CC1(CCC(=O)CCc2cccc(F)c2)N=C(N)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one?
The InChIKey is QLLNXZMOBWQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-22(11-10-19(28)9-8-15-4-3-7-18(24)13-15)20(29)27(21(25)26-22)14-16-5-2-6-17(23)12-16/h2-7,12-13H,8-11,14H2,1H3,(H2,25,26).
What are the key properties of 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one?
2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one has a molecular weight of 415.90 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one is sourced from PubChem (CID 58425050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).