2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol

C18H26N4O2 — CID 52672142

IUPAC2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol
SMILESCn1ccnc1COc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-20-7-6-19-18(20)15-24-17-4-2-16(3-5-17)14-22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-15H2,1H3
InChIKeyXHADHLCOOUXWMC-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 52672142) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID52672142
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol
SMILESCn1ccnc1COc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-20-7-6-19-18(20)15-24-17-4-2-16(3-5-17)14-22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-15H2,1H3
InChIKeyXHADHLCOOUXWMC-UHFFFAOYSA-N
XLogP1.11
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol (CID 52672142) is 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol is Cn1ccnc1COc1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is XHADHLCOOUXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-7-6-19-18(20)15-24-17-4-2-16(3-5-17)14-22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-15H2,1H3.
What are the key properties of 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 330.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 52672142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).