(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate

C19H24N2O4S — CID 60562892

IUPAC(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate
SMILESO=C(CCS(=O)(=O)C1CCCC1)OCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-19(10-13-26(23,24)17-8-4-5-9-17)25-15-18-20-11-12-21(18)14-16-6-2-1-3-7-16/h1-3,6-7,11-12,17H,4-5,8-10,13-15H2
InChIKeyGSLLGBWIIYPGAJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.72
Rot. Bonds8

About (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate

(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate (PubChem CID 60562892) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate
PubChem CID60562892
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate
SMILESO=C(CCS(=O)(=O)C1CCCC1)OCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-19(10-13-26(23,24)17-8-4-5-9-17)25-15-18-20-11-12-21(18)14-16-6-2-1-3-7-16/h1-3,6-7,11-12,17H,4-5,8-10,13-15H2
InChIKeyGSLLGBWIIYPGAJ-UHFFFAOYSA-N
XLogP2.72
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate?
The IUPAC name of (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate (CID 60562892) is (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate.
What is the SMILES notation for (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate?
The canonical SMILES for (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate is O=C(CCS(=O)(=O)C1CCCC1)OCc1nccn1Cc1ccccc1.
What is the InChIKey of (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate?
The InChIKey is GSLLGBWIIYPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-19(10-13-26(23,24)17-8-4-5-9-17)25-15-18-20-11-12-21(18)14-16-6-2-1-3-7-16/h1-3,6-7,11-12,17H,4-5,8-10,13-15H2.
What are the key properties of (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate?
(1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate has a molecular weight of 376.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)methyl 3-cyclopentylsulfonylpropanoate is sourced from PubChem (CID 60562892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).