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

C15H23N5O2S — CID 91923881

IUPAC5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1C(C)C
InChIInChI=1S/C15H23N5O2S/c1-11(2)20-12(3)7-16-15(20)13-5-6-19(8-13)23(21,22)14-9-18(4)10-17-14/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyWNCUABJWBRXZFM-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.68
Rot. Bonds4

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

5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole (PubChem CID 91923881) 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-propan-2-ylimidazole.

Molecular Properties

Compound Name5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole
PubChem CID91923881
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1C(C)C
InChIInChI=1S/C15H23N5O2S/c1-11(2)20-12(3)7-16-15(20)13-5-6-19(8-13)23(21,22)14-9-18(4)10-17-14/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyWNCUABJWBRXZFM-UHFFFAOYSA-N
XLogP1.68
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole?
The IUPAC name of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole (CID 91923881) is 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole is Cc1cnc(C2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1C(C)C.
What is the InChIKey of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole?
The InChIKey is WNCUABJWBRXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-11(2)20-12(3)7-16-15(20)13-5-6-19(8-13)23(21,22)14-9-18(4)10-17-14/h7,9-11,13H,5-6,8H2,1-4H3.
What are the key properties of 5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole?
5-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-propan-2-ylimidazole has a molecular weight of 337.45 g/mol, XLogP of 1.68, 4 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-propan-2-ylimidazole is sourced from PubChem (CID 91923881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).