4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol

C22H24ClFN4O2 — CID 92567310

IUPAC4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
SMILESCn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C22H24ClFN4O2/c1-26-8-7-25-22(26)21(30)17-3-2-4-18(24)20(17)28-11-9-27(10-12-28)14-15-13-16(23)5-6-19(15)29/h2-8,13,21,29-30H,9-12,14H2,1H3/t21-/m1/s1
InChIKeyAQUSHFIZKXQVED-OAQYLSRUSA-N
MW430.91 g/mol
LogP3.32
Rot. Bonds5

About 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol

4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol (PubChem CID 92567310) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
PubChem CID92567310
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
SMILESCn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C22H24ClFN4O2/c1-26-8-7-25-22(26)21(30)17-3-2-4-18(24)20(17)28-11-9-27(10-12-28)14-15-13-16(23)5-6-19(15)29/h2-8,13,21,29-30H,9-12,14H2,1H3/t21-/m1/s1
InChIKeyAQUSHFIZKXQVED-OAQYLSRUSA-N
XLogP3.32
TPSA64.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol with MolForge

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Related Compounds

[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 46953574
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 92567317
[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220782
(S)-[3-fluoro-2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 95801488
[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220788
[2-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220787
(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 92567353
3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 110220707
(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 95801570
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 64713098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol (CID 92567310) is 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol is Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(Cl)ccc2O)CC1.
What is the InChIKey of 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
The InChIKey is AQUSHFIZKXQVED-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-26-8-7-25-22(26)21(30)17-3-2-4-18(24)20(17)28-11-9-27(10-12-28)14-15-13-16(23)5-6-19(15)29/h2-8,13,21,29-30H,9-12,14H2,1H3/t21-/m1/s1.
What are the key properties of 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol?
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol has a molecular weight of 430.91 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 92567310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).