2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one

C26H26FN3O2 — CID 44530118

IUPAC2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
SMILESCOc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H26FN3O2/c1-32-23-15-9-20(10-16-23)18-26(21-11-13-22(27)14-12-21)24(31)30(25(28)29-26)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16H,5,8,17-18H2,1H3,(H2,28,29)
InChIKeyKTHPUBLGYOSWQR-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.06
Rot. Bonds8

About 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one

2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one (PubChem CID 44530118) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
PubChem CID44530118
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
SMILESCOc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H26FN3O2/c1-32-23-15-9-20(10-16-23)18-26(21-11-13-22(27)14-12-21)24(31)30(25(28)29-26)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16H,5,8,17-18H2,1H3,(H2,28,29)
InChIKeyKTHPUBLGYOSWQR-UHFFFAOYSA-N
XLogP4.06
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-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-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one (CID 44530118) is 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one is COc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one?
The InChIKey is KTHPUBLGYOSWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-32-23-15-9-20(10-16-23)18-26(21-11-13-22(27)14-12-21)24(31)30(25(28)29-26)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16H,5,8,17-18H2,1H3,(H2,28,29).
What are the key properties of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one?
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one has a molecular weight of 431.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one is sourced from PubChem (CID 44530118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).