4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol

C14H18N4OS — CID 12952786

IUPAC4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
SMILESCSc1nccn1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H18N4OS/c1-20-14-15-6-7-18(14)17-10-8-16(9-11-17)12-2-4-13(19)5-3-12/h2-7,19H,8-11H2,1H3
InChIKeyPNPJWFRHMBXYHT-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.77
Rot. Bonds3

About 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol

4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol (PubChem CID 12952786) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
PubChem CID12952786
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
SMILESCSc1nccn1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H18N4OS/c1-20-14-15-6-7-18(14)17-10-8-16(9-11-17)12-2-4-13(19)5-3-12/h2-7,19H,8-11H2,1H3
InChIKeyPNPJWFRHMBXYHT-UHFFFAOYSA-N
XLogP1.77
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol (CID 12952786) is 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol is CSc1nccn1N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The InChIKey is PNPJWFRHMBXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-20-14-15-6-7-18(14)17-10-8-16(9-11-17)12-2-4-13(19)5-3-12/h2-7,19H,8-11H2,1H3.
What are the key properties of 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol has a molecular weight of 290.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylsulfanylimidazol-1-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 12952786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).