N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide

C23H21N3O2S — CID 23650083

IUPACN-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H21N3O2S/c1-29(27,28)24-16-17-12-14-20(15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3,(H,25,26)
InChIKeyDTVBAIMJCGZVFO-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.46
Rot. Bonds6

About N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide

N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide (PubChem CID 23650083) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide
PubChem CID23650083
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H21N3O2S/c1-29(27,28)24-16-17-12-14-20(15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3,(H,25,26)
InChIKeyDTVBAIMJCGZVFO-UHFFFAOYSA-N
XLogP4.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide 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 N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide (CID 23650083) is N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is DTVBAIMJCGZVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-29(27,28)24-16-17-12-14-20(15-13-17)23-25-21(18-8-4-2-5-9-18)22(26-23)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3,(H,25,26).
What are the key properties of N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide?
N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 23650083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).