(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one

C18H18FN3O2 — CID 52942291

IUPAC(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)[C@](c2ccccc2)(c2ccc(OCCF)cc2)N=C1N
InChIInChI=1S/C18H18FN3O2/c1-22-16(23)18(21-17(22)20,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-12-11-19/h2-10H,11-12H2,1H3,(H2,20,21)/t18-/m0/s1
InChIKeyWKKSAUFKGYEBTL-SFHVURJKSA-N
MW327.36 g/mol
LogP2.07
Rot. Bonds5

About (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one

(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 52942291) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID52942291
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)[C@](c2ccccc2)(c2ccc(OCCF)cc2)N=C1N
InChIInChI=1S/C18H18FN3O2/c1-22-16(23)18(21-17(22)20,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-12-11-19/h2-10H,11-12H2,1H3,(H2,20,21)/t18-/m0/s1
InChIKeyWKKSAUFKGYEBTL-SFHVURJKSA-N
XLogP2.07
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-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 (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 52942291) is (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)[C@](c2ccccc2)(c2ccc(OCCF)cc2)N=C1N.
What is the InChIKey of (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is WKKSAUFKGYEBTL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-22-16(23)18(21-17(22)20,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-12-11-19/h2-10H,11-12H2,1H3,(H2,20,21)/t18-/m0/s1.
What are the key properties of (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one?
(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 52942291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).