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

C18H34N4O — CID 45173086

IUPAC2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(CC(C)C)C(CCO)C2)[nH]1
InChIInChI=1S/C18H34N4O/c1-4-5-6-18-19-11-16(20-18)13-21-8-9-22(12-15(2)3)17(14-21)7-10-23/h11,15,17,23H,4-10,12-14H2,1-3H3,(H,19,20)
InChIKeyFNWRTBPCWJDDHS-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.28
Rot. Bonds9

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

2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 45173086) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID45173086
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(CC(C)C)C(CCO)C2)[nH]1
InChIInChI=1S/C18H34N4O/c1-4-5-6-18-19-11-16(20-18)13-21-8-9-22(12-15(2)3)17(14-21)7-10-23/h11,15,17,23H,4-10,12-14H2,1-3H3,(H,19,20)
InChIKeyFNWRTBPCWJDDHS-UHFFFAOYSA-N
XLogP2.28
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 45173086) is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CCCCc1ncc(CN2CCN(CC(C)C)C(CCO)C2)[nH]1.
What is the InChIKey of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is FNWRTBPCWJDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-4-5-6-18-19-11-16(20-18)13-21-8-9-22(12-15(2)3)17(14-21)7-10-23/h11,15,17,23H,4-10,12-14H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 322.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45173086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).