[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

C23H27FN4O — CID 46961141

IUPAC[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27FN4O/c1-26-13-11-25-23(26)22(29)19-8-5-9-20(24)21(19)28-16-14-27(15-17-28)12-10-18-6-3-2-4-7-18/h2-9,11,13,22,29H,10,12,14-17H2,1H3
InChIKeyHUWKYVZOXRTQNZ-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.01
Rot. Bonds6

About [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 46961141) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID46961141
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27FN4O/c1-26-13-11-25-23(26)22(29)19-8-5-9-20(24)21(19)28-16-14-27(15-17-28)12-10-18-6-3-2-4-7-18/h2-9,11,13,22,29H,10,12,14-17H2,1H3
InChIKeyHUWKYVZOXRTQNZ-UHFFFAOYSA-N
XLogP3.01
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 46961141) is [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is HUWKYVZOXRTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-26-13-11-25-23(26)22(29)19-8-5-9-20(24)21(19)28-16-14-27(15-17-28)12-10-18-6-3-2-4-7-18/h2-9,11,13,22,29H,10,12,14-17H2,1H3.
What are the key properties of [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
[3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 394.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 46961141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).