2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C17H32N4O — CID 45206584

IUPAC2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C17H32N4O/c1-5-17-18-14(4)16(19-17)12-20-7-8-21(10-13(2)3)15(11-20)6-9-22/h13,15,22H,5-12H2,1-4H3,(H,18,19)
InChIKeyUELZNAPZYBEZFH-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.81
Rot. Bonds7

About 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 45206584) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID45206584
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C17H32N4O/c1-5-17-18-14(4)16(19-17)12-20-7-8-21(10-13(2)3)15(11-20)6-9-22/h13,15,22H,5-12H2,1-4H3,(H,18,19)
InChIKeyUELZNAPZYBEZFH-UHFFFAOYSA-N
XLogP1.81
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 45206584) is 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CCc1nc(CN2CCN(CC(C)C)C(CCO)C2)c(C)[nH]1.
What is the InChIKey of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is UELZNAPZYBEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-5-17-18-14(4)16(19-17)12-20-7-8-21(10-13(2)3)15(11-20)6-9-22/h13,15,22H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 308.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).