1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine

C18H26N4O2S — CID 56906121

IUPAC1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCCCCc1ncc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H26N4O2S/c1-2-3-9-18-19-14-16(20-18)15-21-10-12-22(13-11-21)25(23,24)17-7-5-4-6-8-17/h4-8,14H,2-3,9-13,15H2,1H3,(H,19,20)
InChIKeyAYNZYDQJFBAWMQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.26
Rot. Bonds7

About 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine

1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine (PubChem CID 56906121) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
PubChem CID56906121
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCCCCc1ncc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H26N4O2S/c1-2-3-9-18-19-14-16(20-18)15-21-10-12-22(13-11-21)25(23,24)17-7-5-4-6-8-17/h4-8,14H,2-3,9-13,15H2,1H3,(H,19,20)
InChIKeyAYNZYDQJFBAWMQ-UHFFFAOYSA-N
XLogP2.26
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-7-[(2-butyl-1H-imidazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 163306292
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
(3R)-4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 95402715
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
CID 45228125
4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56896768
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine (CID 56906121) is 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine is CCCCc1ncc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine?
The InChIKey is AYNZYDQJFBAWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-2-3-9-18-19-14-16(20-18)15-21-10-12-22(13-11-21)25(23,24)17-7-5-4-6-8-17/h4-8,14H,2-3,9-13,15H2,1H3,(H,19,20).
What are the key properties of 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine has a molecular weight of 362.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine is sourced from PubChem (CID 56906121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).