2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid

C21H24F3N3O4 — CID 174572007

IUPAC2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCCC1(C2(OC)C=CC=C(c3ccccc3)C2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N3O2.C2HF3O2/c1-4-19(16(23)22(2)17(20)21-19)18(24-3)12-8-11-15(13-18)14-9-6-5-7-10-14;3-2(4,5)1(6)7/h5-12H,4,13H2,1-3H3,(H2,20,21);(H,6,7)
InChIKeyNWSNQBPTTRXMIZ-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid

2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid (PubChem CID 174572007) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
PubChem CID174572007
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCCC1(C2(OC)C=CC=C(c3ccccc3)C2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N3O2.C2HF3O2/c1-4-19(16(23)22(2)17(20)21-19)18(24-3)12-8-11-15(13-18)14-9-6-5-7-10-14;3-2(4,5)1(6)7/h5-12H,4,13H2,1-3H3,(H2,20,21);(H,6,7)
InChIKeyNWSNQBPTTRXMIZ-UHFFFAOYSA-N
XLogP2.98
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-5-(2-ethoxy-5-phenylphenyl)-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 175259689
2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
CID 174564600
1-ethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699547
(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 73351114
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid;2,2,2-trifluoroacetic acid
CID 69325295
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751
2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
CID 174579319
dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid (CID 174572007) is 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid is CCC1(C2(OC)C=CC=C(c3ccccc3)C2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is NWSNQBPTTRXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.C2HF3O2/c1-4-19(16(23)22(2)17(20)21-19)18(24-3)12-8-11-15(13-18)14-9-6-5-7-10-14;3-2(4,5)1(6)7/h5-12H,4,13H2,1-3H3,(H2,20,21);(H,6,7).
What are the key properties of 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 439.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174572007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).