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

C15H20N4OS — CID 12952787

IUPAC4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
SMILESCCSc1nccn1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-21-15-16-7-8-19(15)18-11-9-17(10-12-18)13-3-5-14(20)6-4-13/h3-8,20H,2,9-12H2,1H3
InChIKeyLBEKPUNIQHTTLE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.16
Rot. Bonds4

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

4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol (PubChem CID 12952787) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
PubChem CID12952787
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol
SMILESCCSc1nccn1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-21-15-16-7-8-19(15)18-11-9-17(10-12-18)13-3-5-14(20)6-4-13/h3-8,20H,2,9-12H2,1H3
InChIKeyLBEKPUNIQHTTLE-UHFFFAOYSA-N
XLogP2.16
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol (CID 12952787) is 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol is CCSc1nccn1N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
The InChIKey is LBEKPUNIQHTTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-21-15-16-7-8-19(15)18-11-9-17(10-12-18)13-3-5-14(20)6-4-13/h3-8,20H,2,9-12H2,1H3.
What are the key properties of 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol?
4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol has a molecular weight of 304.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylsulfanylimidazol-1-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 12952787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).