5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole

C15H23N5O2S — CID 91923874

IUPAC5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole
SMILESCCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C15H23N5O2S/c1-4-6-20-12(2)8-16-15(20)13-5-7-19(9-13)23(21,22)14-10-18(3)11-17-14/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyRXAIIVOCCFJDNJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.51
Rot. Bonds5

About 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole

5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole (PubChem CID 91923874) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole.

Molecular Properties

Compound Name5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole
PubChem CID91923874
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole
SMILESCCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C15H23N5O2S/c1-4-6-20-12(2)8-16-15(20)13-5-7-19(9-13)23(21,22)14-10-18(3)11-17-14/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyRXAIIVOCCFJDNJ-UHFFFAOYSA-N
XLogP1.51
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole?
The IUPAC name of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole (CID 91923874) is 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole.
What is the SMILES notation for 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole?
The canonical SMILES for 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole is CCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole?
The InChIKey is RXAIIVOCCFJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-4-6-20-12(2)8-16-15(20)13-5-7-19(9-13)23(21,22)14-10-18(3)11-17-14/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole?
5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole has a molecular weight of 337.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propylimidazole is sourced from PubChem (CID 91923874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).