4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide

C25H27N5O4S — CID 176736364

IUPAC4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(=O)NCCCCn4cccn4)cn3)cc2)cc1
InChIInChI=1S/C25H27N5O4S/c1-35(32,33)23-11-5-20(6-12-23)18-34-22-9-7-21(8-10-22)24-17-29(19-27-24)25(31)26-13-2-3-15-30-16-4-14-28-30/h4-12,14,16-17,19H,2-3,13,15,18H2,1H3,(H,26,31)
InChIKeyZWWHYKBYIWVTKZ-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.77
Rot. Bonds10

About 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide

4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide (PubChem CID 176736364) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide
PubChem CID176736364
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(=O)NCCCCn4cccn4)cn3)cc2)cc1
InChIInChI=1S/C25H27N5O4S/c1-35(32,33)23-11-5-20(6-12-23)18-34-22-9-7-21(8-10-22)24-17-29(19-27-24)25(31)26-13-2-3-15-30-16-4-14-28-30/h4-12,14,16-17,19H,2-3,13,15,18H2,1H3,(H,26,31)
InChIKeyZWWHYKBYIWVTKZ-UHFFFAOYSA-N
XLogP3.77
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide 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-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide?
The IUPAC name of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide (CID 176736364) is 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide?
The canonical SMILES for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide is CS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(=O)NCCCCn4cccn4)cn3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide?
The InChIKey is ZWWHYKBYIWVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-35(32,33)23-11-5-20(6-12-23)18-34-22-9-7-21(8-10-22)24-17-29(19-27-24)25(31)26-13-2-3-15-30-16-4-14-28-30/h4-12,14,16-17,19H,2-3,13,15,18H2,1H3,(H,26,31).
What are the key properties of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide?
4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 176736364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).