5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole

C12H17N5O2S — CID 124999412

IUPAC5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1
InChIInChI=1S/C12H17N5O2S/c1-9-6-13-12(15-9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-14-11/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyROTSFTYUJRQDGB-JTQLQIEISA-N
MW295.37 g/mol
LogP0.98
Rot. Bonds3

About 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole

5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole (PubChem CID 124999412) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
PubChem CID124999412
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1
InChIInChI=1S/C12H17N5O2S/c1-9-6-13-12(15-9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-14-11/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyROTSFTYUJRQDGB-JTQLQIEISA-N
XLogP0.98
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 124961579
2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
CID 95824730
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
2-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-3-one
CID 110257196
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole (CID 124999412) is 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole is Cc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1.
What is the InChIKey of 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The InChIKey is ROTSFTYUJRQDGB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9-6-13-12(15-9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-14-11/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole has a molecular weight of 295.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 124999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).