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

C19H30N4O2 — CID 29027625

IUPAC2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(C)[nH]1
InChIInChI=1S/C19H30N4O2/c1-4-19-20-15(3)18(21-19)13-22-8-9-23(16(11-22)7-10-24)12-17-6-5-14(2)25-17/h5-6,16,24H,4,7-13H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyJNBJXAXAYKDSCK-INIZCTEOSA-N
MW346.48 g/mol
LogP2.25
Rot. Bonds7

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

2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29027625) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29027625
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(C)[nH]1
InChIInChI=1S/C19H30N4O2/c1-4-19-20-15(3)18(21-19)13-22-8-9-23(16(11-22)7-10-24)12-17-6-5-14(2)25-17/h5-6,16,24H,4,7-13H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyJNBJXAXAYKDSCK-INIZCTEOSA-N
XLogP2.25
TPSA68.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
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CID 56915290
2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 29027625) is 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is CCc1nc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(C)[nH]1.
What is the InChIKey of 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JNBJXAXAYKDSCK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-19-20-15(3)18(21-19)13-22-8-9-23(16(11-22)7-10-24)12-17-6-5-14(2)25-17/h5-6,16,24H,4,7-13H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 346.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29027625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).