2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine

C20H30N6O2S — CID 56701590

IUPAC2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCS(=O)(=O)c1ncc(CN2CCN(c3cnccn3)CC2)n1CC1CCCCC1
InChIInChI=1S/C20H30N6O2S/c1-29(27,28)20-23-13-18(26(20)15-17-5-3-2-4-6-17)16-24-9-11-25(12-10-24)19-14-21-7-8-22-19/h7-8,13-14,17H,2-6,9-12,15-16H2,1H3
InChIKeyAWPQLXUVUDFJHC-UHFFFAOYSA-N
MW418.57 g/mol
LogP1.98
Rot. Bonds6

About 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine

2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 56701590) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID56701590
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC Name2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCS(=O)(=O)c1ncc(CN2CCN(c3cnccn3)CC2)n1CC1CCCCC1
InChIInChI=1S/C20H30N6O2S/c1-29(27,28)20-23-13-18(26(20)15-17-5-3-2-4-6-17)16-24-9-11-25(12-10-24)19-14-21-7-8-22-19/h7-8,13-14,17H,2-6,9-12,15-16H2,1H3
InChIKeyAWPQLXUVUDFJHC-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine (CID 56701590) is 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine is CS(=O)(=O)c1ncc(CN2CCN(c3cnccn3)CC2)n1CC1CCCCC1.
What is the InChIKey of 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is AWPQLXUVUDFJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-29(27,28)20-23-13-18(26(20)15-17-5-3-2-4-6-17)16-24-9-11-25(12-10-24)19-14-21-7-8-22-19/h7-8,13-14,17H,2-6,9-12,15-16H2,1H3.
What are the key properties of 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 418.57 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 56701590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).