2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C18H26N4O — CID 124852713

IUPAC2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cncn2Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C18H26N4O/c1-20-8-9-21(13-17(20)7-10-23)14-18-11-19-15-22(18)12-16-5-3-2-4-6-16/h2-6,11,15,17,23H,7-10,12-14H2,1H3/t17-/m1/s1
InChIKeyVHJLAPMTNJPINL-QGZVFWFLSA-N
MW314.43 g/mol
LogP1.43
Rot. Bonds6

About 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 124852713) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID124852713
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cncn2Cc2ccccc2)C[C@H]1CCO
InChIInChI=1S/C18H26N4O/c1-20-8-9-21(13-17(20)7-10-23)14-18-11-19-15-22(18)12-16-5-3-2-4-6-16/h2-6,11,15,17,23H,7-10,12-14H2,1H3/t17-/m1/s1
InChIKeyVHJLAPMTNJPINL-QGZVFWFLSA-N
XLogP1.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
CID 69210671
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
(3S,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50954019
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 124852713) is 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2cncn2Cc2ccccc2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is VHJLAPMTNJPINL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-20-8-9-21(13-17(20)7-10-23)14-18-11-19-15-22(18)12-16-5-3-2-4-6-16/h2-6,11,15,17,23H,7-10,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 314.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 124852713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).