4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine

C21H25N3OS — CID 50958522

IUPAC4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine
SMILESCC(CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1
InChIInChI=1S/C21H25N3OS/c1-17(7-9-23-10-12-25-13-11-23)24-16-22-20(18-5-3-2-4-6-18)21(24)19-8-14-26-15-19/h2-6,8,14-17H,7,9-13H2,1H3
InChIKeyCCHFKEPJJFDZIG-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.56
Rot. Bonds6

About 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine

4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine (PubChem CID 50958522) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine
PubChem CID50958522
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine
SMILESCC(CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1
InChIInChI=1S/C21H25N3OS/c1-17(7-9-23-10-12-25-13-11-23)24-16-22-20(18-5-3-2-4-6-18)21(24)19-8-14-26-15-19/h2-6,8,14-17H,7,9-13H2,1H3
InChIKeyCCHFKEPJJFDZIG-UHFFFAOYSA-N
XLogP4.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine 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 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine?
The IUPAC name of 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine (CID 50958522) is 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine.
What is the SMILES notation for 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine?
The canonical SMILES for 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine is CC(CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1.
What is the InChIKey of 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine?
The InChIKey is CCHFKEPJJFDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-17(7-9-23-10-12-25-13-11-23)24-16-22-20(18-5-3-2-4-6-18)21(24)19-8-14-26-15-19/h2-6,8,14-17H,7,9-13H2,1H3.
What are the key properties of 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine?
4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine has a molecular weight of 367.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine is sourced from PubChem (CID 50958522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).