[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol

C12H22N4OS — CID 82891573

IUPAC[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
SMILESCN1CCN(CCSc2ncc(CO)n2C)CC1
InChIInChI=1S/C12H22N4OS/c1-14-3-5-16(6-4-14)7-8-18-12-13-9-11(10-17)15(12)2/h9,17H,3-8,10H2,1-2H3
InChIKeyBLOZLKKBGNDBHF-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.25
Rot. Bonds5

About [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol (PubChem CID 82891573) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
PubChem CID82891573
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
SMILESCN1CCN(CCSc2ncc(CO)n2C)CC1
InChIInChI=1S/C12H22N4OS/c1-14-3-5-16(6-4-14)7-8-18-12-13-9-11(10-17)15(12)2/h9,17H,3-8,10H2,1-2H3
InChIKeyBLOZLKKBGNDBHF-UHFFFAOYSA-N
XLogP0.25
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol (CID 82891573) is [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol is CN1CCN(CCSc2ncc(CO)n2C)CC1.
What is the InChIKey of [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is BLOZLKKBGNDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-14-3-5-16(6-4-14)7-8-18-12-13-9-11(10-17)15(12)2/h9,17H,3-8,10H2,1-2H3.
What are the key properties of [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 82891573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).