2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C18H34N4O — CID 45208098

IUPAC2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CCC(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C18H34N4O/c1-5-18-19-15(4)17(20-18)13-21-9-10-22(8-6-14(2)3)16(12-21)7-11-23/h14,16,23H,5-13H2,1-4H3,(H,19,20)
InChIKeyQISRHAQKKWOHLB-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.20
Rot. Bonds8

About 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45208098) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45208098
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CCC(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C18H34N4O/c1-5-18-19-15(4)17(20-18)13-21-9-10-22(8-6-14(2)3)16(12-21)7-11-23/h14,16,23H,5-13H2,1-4H3,(H,19,20)
InChIKeyQISRHAQKKWOHLB-UHFFFAOYSA-N
XLogP2.20
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
2-{1-(2,2-dimethylpropyl)-4-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45194198
(3S*,4R*)-3-ethyl-1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 56745775
2-[(2S)-1-(3-methylbut-2-enyl)-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 28100527
2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28309927
(3R,4R)-4-(azepan-1-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-ol
CID 28390919
2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29021769
2-[(2S)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 29027872
2-[(2S)-1-(cyclohexylmethyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29208422
2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 30722887
2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 45095644
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 45173086

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45208098) is 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is CCc1nc(CN2CCN(CCC(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-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is QISRHAQKKWOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-5-18-19-15(4)17(20-18)13-21-9-10-22(8-6-14(2)3)16(12-21)7-11-23/h14,16,23H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 322.50 g/mol, XLogP of 2.20, 8 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-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).