2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride

C11H12ClN3O2S — CID 82911839

IUPAC2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride
SMILESCc1cccc(Cn2cc(S(=O)(=O)Cl)nc2C)n1
InChIInChI=1S/C11H12ClN3O2S/c1-8-4-3-5-10(13-8)6-15-7-11(14-9(15)2)18(12,16)17/h3-5,7H,6H2,1-2H3
InChIKeyBZLCWAURQUEYOJ-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride

2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride (PubChem CID 82911839) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride
PubChem CID82911839
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride
SMILESCc1cccc(Cn2cc(S(=O)(=O)Cl)nc2C)n1
InChIInChI=1S/C11H12ClN3O2S/c1-8-4-3-5-10(13-8)6-15-7-11(14-9(15)2)18(12,16)17/h3-5,7H,6H2,1-2H3
InChIKeyBZLCWAURQUEYOJ-UHFFFAOYSA-N
XLogP1.87
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride
CID 107051968
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
CID 114857558
2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride
CID 82913595
1-but-3-ynyl-2-methylimidazole-4-sulfonyl chloride
CID 82913820
2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728498
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82912926
1-(3-cyano-3-methylbutyl)-2-methylimidazole-4-sulfonyl chloride
CID 82912705
5-bromo-1-[(6-methyl-2-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 79261028
2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
CID 79260621
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione
CID 62307706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride (CID 82911839) is 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride is Cc1cccc(Cn2cc(S(=O)(=O)Cl)nc2C)n1.
What is the InChIKey of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride?
The InChIKey is BZLCWAURQUEYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8-4-3-5-10(13-8)6-15-7-11(14-9(15)2)18(12,16)17/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride?
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride has a molecular weight of 285.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).