1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine

C14H18N4O2S — CID 20856398

IUPAC1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cnc[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-10-15-12-16-14)18-8-6-17(7-9-18)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,15,16)
InChIKeySXLPSUSZKRMRBP-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.92
Rot. Bonds4

About 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine

1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine (PubChem CID 20856398) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine
PubChem CID20856398
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cnc[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-10-15-12-16-14)18-8-6-17(7-9-18)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,15,16)
InChIKeySXLPSUSZKRMRBP-UHFFFAOYSA-N
XLogP0.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The IUPAC name of 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine (CID 20856398) is 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine is O=S(=O)(c1cnc[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The InChIKey is SXLPSUSZKRMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,14-10-15-12-16-14)18-8-6-17(7-9-18)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,15,16).
What are the key properties of 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine?
1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine has a molecular weight of 306.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1H-imidazol-5-ylsulfonyl)piperazine is sourced from PubChem (CID 20856398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).