2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol

C11H20N5O3- — CID 21140944

IUPAC2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCn1c(N([O-])O)cnc1CN1CCN(CCO)CC1
InChIInChI=1S/C11H20N5O3/c1-13-10(12-8-11(13)16(18)19)9-15-4-2-14(3-5-15)6-7-17/h8,17-18H,2-7,9H2,1H3/q-1
InChIKeyQSDCZMHJDNCBLK-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.78
Rot. Bonds5

About 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 21140944) has the molecular formula C11H20N5O3- and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol
PubChem CID21140944
Molecular FormulaC11H20N5O3-
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCn1c(N([O-])O)cnc1CN1CCN(CCO)CC1
InChIInChI=1S/C11H20N5O3/c1-13-10(12-8-11(13)16(18)19)9-15-4-2-14(3-5-15)6-7-17/h8,17-18H,2-7,9H2,1H3/q-1
InChIKeyQSDCZMHJDNCBLK-UHFFFAOYSA-N
XLogP-0.78
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol (CID 21140944) is 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol is Cn1c(N([O-])O)cnc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is QSDCZMHJDNCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N5O3/c1-13-10(12-8-11(13)16(18)19)9-15-4-2-14(3-5-15)6-7-17/h8,17-18H,2-7,9H2,1H3/q-1.
What are the key properties of 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 270.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[hydroxy(oxido)amino]-1-methylimidazol-2-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 21140944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).