2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole

C20H22N2O2S — CID 18463750

IUPAC2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
SMILESCC(C)(C)c1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C20H22N2O2S/c1-20(2,3)19-21-17(14-8-6-5-7-9-14)18(22-19)15-10-12-16(13-11-15)25(4,23)24/h5-13H,1-4H3,(H,21,22)
InChIKeyNJIZVYHYVDPZMT-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.44
Rot. Bonds3

About 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole

2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole (PubChem CID 18463750) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
PubChem CID18463750
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
SMILESCC(C)(C)c1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C20H22N2O2S/c1-20(2,3)19-21-17(14-8-6-5-7-9-14)18(22-19)15-10-12-16(13-11-15)25(4,23)24/h5-13H,1-4H3,(H,21,22)
InChIKeyNJIZVYHYVDPZMT-UHFFFAOYSA-N
XLogP4.44
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 18463648
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
CID 18463608
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
CID 67695801
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
CID 57260118
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
CID 10470279
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole (CID 18463750) is 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole is CC(C)(C)c1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1.
What is the InChIKey of 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole?
The InChIKey is NJIZVYHYVDPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-20(2,3)19-21-17(14-8-6-5-7-9-14)18(22-19)15-10-12-16(13-11-15)25(4,23)24/h5-13H,1-4H3,(H,21,22).
What are the key properties of 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole?
2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole has a molecular weight of 354.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 18463750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).