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

C23H27FN4O — CID 110220751

IUPAC[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cccc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)c1
InChIInChI=1S/C23H27FN4O/c1-17-5-3-6-18(15-17)16-27-11-13-28(14-12-27)21-19(7-4-8-20(21)24)22(29)23-25-9-10-26(23)2/h3-10,15,22,29H,11-14,16H2,1-2H3
InChIKeyWKXHTOCKORLONZ-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.27
Rot. Bonds5

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

[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110220751) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID110220751
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cccc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)c1
InChIInChI=1S/C23H27FN4O/c1-17-5-3-6-18(15-17)16-27-11-13-28(14-12-27)21-19(7-4-8-20(21)24)22(29)23-25-9-10-26(23)2/h3-10,15,22,29H,11-14,16H2,1-2H3
InChIKeyWKXHTOCKORLONZ-UHFFFAOYSA-N
XLogP3.27
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.27
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-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 110220751) is [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is Cc1cccc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)c1.
What is the InChIKey of [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is WKXHTOCKORLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17-5-3-6-18(15-17)16-27-11-13-28(14-12-27)21-19(7-4-8-20(21)24)22(29)23-25-9-10-26(23)2/h3-10,15,22,29H,11-14,16H2,1-2H3.
What are the key properties of [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 394.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110220751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).