1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one

C17H15BrN2O3S — CID 8594086

IUPAC1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(Cc3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-13-2-8-16(9-3-13)24(22,23)20-11-10-19(17(20)21)12-14-4-6-15(18)7-5-14/h2-11H,12H2,1H3
InChIKeyZLCCANOMZLMNIN-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.01
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one

1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one (PubChem CID 8594086) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one
PubChem CID8594086
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(Cc3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-13-2-8-16(9-3-13)24(22,23)20-11-10-19(17(20)21)12-14-4-6-15(18)7-5-14/h2-11H,12H2,1H3
InChIKeyZLCCANOMZLMNIN-UHFFFAOYSA-N
XLogP3.01
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)methyl]imidazol-2-one
CID 8594079
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
CID 8594078
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 8594164
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
1-(4-bromophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium
CID 8744789
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
1-[(4-bromophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 62886037
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one (CID 8594086) is 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(Cc3ccc(Br)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one?
The InChIKey is ZLCCANOMZLMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-13-2-8-16(9-3-13)24(22,23)20-11-10-19(17(20)21)12-14-4-6-15(18)7-5-14/h2-11H,12H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one?
1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one has a molecular weight of 407.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8594086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).