2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one

C26H22F3N3O4 — CID 24991137

IUPAC2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc(OC(F)(F)F)c(-c2cccc(C3(c4ccc5c(c4)CCO5)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C26H22F3N3O4/c1-32-23(33)25(31-24(32)30,18-6-8-21-16(13-18)10-11-35-21)17-5-3-4-15(12-17)20-14-19(34-2)7-9-22(20)36-26(27,28)29/h3-9,12-14H,10-11H2,1-2H3,(H2,30,31)
InChIKeyLPBBESIUICFJLO-UHFFFAOYSA-N
MW497.47 g/mol
LogP4.23
Rot. Bonds5

About 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one

2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one (PubChem CID 24991137) has the molecular formula C26H22F3N3O4 and a molecular weight of 497.47 g/mol. Its IUPAC name is 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one
PubChem CID24991137
Molecular FormulaC26H22F3N3O4
Molecular Weight497.47 g/mol
Exact Mass497.16
IUPAC Name2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc(OC(F)(F)F)c(-c2cccc(C3(c4ccc5c(c4)CCO5)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C26H22F3N3O4/c1-32-23(33)25(31-24(32)30,18-6-8-21-16(13-18)10-11-35-21)17-5-3-4-15(12-17)20-14-19(34-2)7-9-22(20)36-26(27,28)29/h3-9,12-14H,10-11H2,1-2H3,(H2,30,31)
InChIKeyLPBBESIUICFJLO-UHFFFAOYSA-N
XLogP4.23
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-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-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one (CID 24991137) is 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one is COc1ccc(OC(F)(F)F)c(-c2cccc(C3(c4ccc5c(c4)CCO5)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one?
The InChIKey is LPBBESIUICFJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4/c1-32-23(33)25(31-24(32)30,18-6-8-21-16(13-18)10-11-35-21)17-5-3-4-15(12-17)20-14-19(34-2)7-9-22(20)36-26(27,28)29/h3-9,12-14H,10-11H2,1-2H3,(H2,30,31).
What are the key properties of 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one?
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one has a molecular weight of 497.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 24991137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).