1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole

C12H13ClN2O2S — CID 57245144

IUPAC1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-9-14-5-6-15(9)8-10-3-4-11(7-12(10)13)18(2,16)17/h3-7H,8H2,1-2H3
InChIKeyOFHQRKNUAULRJW-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.30
Rot. Bonds3

About 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole

1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole (PubChem CID 57245144) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole
PubChem CID57245144
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-9-14-5-6-15(9)8-10-3-4-11(7-12(10)13)18(2,16)17/h3-7H,8H2,1-2H3
InChIKeyOFHQRKNUAULRJW-UHFFFAOYSA-N
XLogP2.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methylimidazol-1-yl)methyl]benzonitrile
CID 57314606
1-[(2-chloro-4-ethenylphenyl)methyl]-2-methylimidazole
CID 57323140
ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate
CID 174435806
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
1-benzyl-2-methylimidazole
CID 158634472
N-methyl-2-[(2-methylimidazol-1-yl)methyl]-4-nitroaniline
CID 62208317
1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole
CID 174425441
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
2-[(2-methylimidazol-1-yl)methyl]-6-nitroaniline
CID 107351714
3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
CID 82917892
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole?
The IUPAC name of 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole (CID 57245144) is 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole.
What is the SMILES notation for 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole?
The canonical SMILES for 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole is Cc1nccn1Cc1ccc(S(C)(=O)=O)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole?
The InChIKey is OFHQRKNUAULRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-9-14-5-6-15(9)8-10-3-4-11(7-12(10)13)18(2,16)17/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole?
1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole has a molecular weight of 284.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole is sourced from PubChem (CID 57245144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).