1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole

C7H10N4O2S — CID 86634167

IUPAC1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
SMILESCN1C=CN(S(=O)(=O)n2ccnc2)C1
InChIInChI=1S/C7H10N4O2S/c1-9-4-5-11(7-9)14(12,13)10-3-2-8-6-10/h2-6H,7H2,1H3
InChIKeyBNIBXVBEHBTERW-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.35
Rot. Bonds2

About 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole

1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole (PubChem CID 86634167) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole.

Molecular Properties

Compound Name1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
PubChem CID86634167
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
SMILESCN1C=CN(S(=O)(=O)n2ccnc2)C1
InChIInChI=1S/C7H10N4O2S/c1-9-4-5-11(7-9)14(12,13)10-3-2-8-6-10/h2-6H,7H2,1H3
InChIKeyBNIBXVBEHBTERW-UHFFFAOYSA-N
XLogP-0.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-methylsulfonyl-2H-imidazole
CID 71381675
1-imidazol-1-ylsulfonylpiperidin-4-ol
CID 68916643
tert-butyl 3-imidazol-1-ylsulfonyl-1,3-diazetidine-1-carboxylate
CID 168727145
6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane
CID 167321047
sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
N-tert-butylimidazole-1-sulfonamide
CID 174183105
imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
CID 146659083
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine
CID 155756449
1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine
CID 71026744
hydron;1-methylimidazole
CID 67251829
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
CID 150162066

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole?
The IUPAC name of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole (CID 86634167) is 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole.
What is the SMILES notation for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole?
The canonical SMILES for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole is CN1C=CN(S(=O)(=O)n2ccnc2)C1.
What is the InChIKey of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole?
The InChIKey is BNIBXVBEHBTERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-9-4-5-11(7-9)14(12,13)10-3-2-8-6-10/h2-6H,7H2,1H3.
What are the key properties of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole?
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole has a molecular weight of 214.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole is sourced from PubChem (CID 86634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).