(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol

C25H32N4O2 — CID 122591289

IUPAC(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-21-7-9-24(10-8-21)31-20-23(30)18-27-13-15-28(16-14-27)19-25-26-11-12-29(25)17-22-5-3-2-4-6-22/h2-12,23,30H,13-20H2,1H3/t23-/m1/s1
InChIKeyQSXJFZQCYUXCDD-HSZRJFAPSA-N
MW420.56 g/mol
LogP2.80
Rot. Bonds9

About (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol

(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 122591289) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
PubChem CID122591289
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-21-7-9-24(10-8-21)31-20-23(30)18-27-13-15-28(16-14-27)19-25-26-11-12-29(25)17-22-5-3-2-4-6-22/h2-12,23,30H,13-20H2,1H3/t23-/m1/s1
InChIKeyQSXJFZQCYUXCDD-HSZRJFAPSA-N
XLogP2.80
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(2S)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 66551959
1-(4-benzylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol dichloride
CID 21237751
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol (CID 122591289) is (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3Cc3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is QSXJFZQCYUXCDD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-21-7-9-24(10-8-21)31-20-23(30)18-27-13-15-28(16-14-27)19-25-26-11-12-29(25)17-22-5-3-2-4-6-22/h2-12,23,30H,13-20H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 420.56 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 122591289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).