2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one

C17H19N3OS — CID 71220486

IUPAC2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one
SMILESCCCCc1ccc(C2(c3ccccc3)N=C(N)NC2=O)s1
InChIInChI=1S/C17H19N3OS/c1-2-3-9-13-10-11-14(22-13)17(12-7-5-4-6-8-12)15(21)19-16(18)20-17/h4-8,10-11H,2-3,9H2,1H3,(H3,18,19,20,21)
InChIKeyYRBINARPJXYRGR-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one

2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one (PubChem CID 71220486) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one
PubChem CID71220486
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one
SMILESCCCCc1ccc(C2(c3ccccc3)N=C(N)NC2=O)s1
InChIInChI=1S/C17H19N3OS/c1-2-3-9-13-10-11-14(22-13)17(12-7-5-4-6-8-12)15(21)19-16(18)20-17/h4-8,10-11H,2-3,9H2,1H3,(H3,18,19,20,21)
InChIKeyYRBINARPJXYRGR-UHFFFAOYSA-N
XLogP2.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-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-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one (CID 71220486) is 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one is CCCCc1ccc(C2(c3ccccc3)N=C(N)NC2=O)s1.
What is the InChIKey of 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one?
The InChIKey is YRBINARPJXYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-3-9-13-10-11-14(22-13)17(12-7-5-4-6-8-12)15(21)19-16(18)20-17/h4-8,10-11H,2-3,9H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one?
2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one has a molecular weight of 313.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-butylthiophen-2-yl)-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 71220486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).