1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride

C8H9ClN4O2S — CID 82911209

IUPAC1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCn1ccnc1Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClN4O2S/c1-12-3-2-10-7(12)4-13-5-8(11-6-13)16(9,14)15/h2-3,5-6H,4H2,1H3
InChIKeyMANYZBBDONIKKD-UHFFFAOYSA-N
MW260.71 g/mol
LogP0.59
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride

1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride (PubChem CID 82911209) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride
PubChem CID82911209
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCn1ccnc1Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClN4O2S/c1-12-3-2-10-7(12)4-13-5-8(11-6-13)16(9,14)15/h2-3,5-6H,4H2,1H3
InChIKeyMANYZBBDONIKKD-UHFFFAOYSA-N
XLogP0.59
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 82914378
2-(ethylsulfonylmethyl)-1-methylimidazole
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1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527415
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495642
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79107184
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527399
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride (CID 82911209) is 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride is Cn1ccnc1Cn1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride?
The InChIKey is MANYZBBDONIKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c1-12-3-2-10-7(12)4-13-5-8(11-6-13)16(9,14)15/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride?
1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride has a molecular weight of 260.71 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).