1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide

C17H24N4O2S — CID 166315063

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide
SMILESCC1(C)CC(S(N)(=O)=O)CN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C17H24N4O2S/c1-17(2)10-15(24(18,22)23)12-21(17)13-16-19-8-9-20(16)11-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H2,18,22,23)
InChIKeyCQIQCSKXVICQKB-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.57
Rot. Bonds5

About 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide

1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide (PubChem CID 166315063) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide
PubChem CID166315063
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide
SMILESCC1(C)CC(S(N)(=O)=O)CN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C17H24N4O2S/c1-17(2)10-15(24(18,22)23)12-21(17)13-16-19-8-9-20(16)11-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H2,18,22,23)
InChIKeyCQIQCSKXVICQKB-UHFFFAOYSA-N
XLogP1.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide (CID 166315063) is 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide is CC1(C)CC(S(N)(=O)=O)CN1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide?
The InChIKey is CQIQCSKXVICQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2)10-15(24(18,22)23)12-21(17)13-16-19-8-9-20(16)11-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H2,18,22,23).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide?
1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 166315063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).