2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole

C17H15BrN2O2S — CID 82562212

IUPAC2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole
SMILESCS(=O)(=O)c1ccccc1Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2S/c1-23(21,22)16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3
InChIKeyZUHOHYGIJAHJDB-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole

2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole (PubChem CID 82562212) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole
PubChem CID82562212
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC Name2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole
SMILESCS(=O)(=O)c1ccccc1Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2S/c1-23(21,22)16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3
InChIKeyZUHOHYGIJAHJDB-UHFFFAOYSA-N
XLogP3.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
2-[[2-(4-tert-butylphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560688
3-[[1-[(2-methylsulfonylphenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558722
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558131
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539
N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465629
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole (CID 82562212) is 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole is CS(=O)(=O)c1ccccc1Cn1ccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole?
The InChIKey is ZUHOHYGIJAHJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-23(21,22)16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole?
2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole has a molecular weight of 391.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole is sourced from PubChem (CID 82562212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).