3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol

C22H26N4O2 — CID 110220707

IUPAC3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C22H26N4O2/c1-24-10-9-23-22(24)21(28)19-7-2-3-8-20(19)26-13-11-25(12-14-26)16-17-5-4-6-18(27)15-17/h2-10,15,21,27-28H,11-14,16H2,1H3
InChIKeyRNBOMXDCTBETBV-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.53
Rot. Bonds5

About 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol

3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol (PubChem CID 110220707) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
PubChem CID110220707
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C22H26N4O2/c1-24-10-9-23-22(24)21(28)19-7-2-3-8-20(19)26-13-11-25(12-14-26)16-17-5-4-6-18(27)15-17/h2-10,15,21,27-28H,11-14,16H2,1H3
InChIKeyRNBOMXDCTBETBV-UHFFFAOYSA-N
XLogP2.53
TPSA64.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol (CID 110220707) is 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol is Cn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The InChIKey is RNBOMXDCTBETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-10-9-23-22(24)21(28)19-7-2-3-8-20(19)26-13-11-25(12-14-26)16-17-5-4-6-18(27)15-17/h2-10,15,21,27-28H,11-14,16H2,1H3.
What are the key properties of 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol has a molecular weight of 378.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 110220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).