2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol

C26H27FN4O — CID 44525119

IUPAC2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)CC1
InChIInChI=1S/C26H27FN4O/c27-23-7-8-24-25(17-23)29-26(28-24)22-6-2-5-21(16-22)20-4-1-3-19(15-20)18-31-11-9-30(10-12-31)13-14-32/h1-8,15-17,32H,9-14,18H2,(H,28,29)
InChIKeyKGSIRZKSSUNYLU-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.15
Rot. Bonds6

About 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 44525119) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID44525119
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)CC1
InChIInChI=1S/C26H27FN4O/c27-23-7-8-24-25(17-23)29-26(28-24)22-6-2-5-21(16-22)20-4-1-3-19(15-20)18-31-11-9-30(10-12-31)13-14-32/h1-8,15-17,32H,9-14,18H2,(H,28,29)
InChIKeyKGSIRZKSSUNYLU-UHFFFAOYSA-N
XLogP4.15
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
6-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 44525259
6-fluoro-2-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole
CID 44525093
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530936
2-[4-[[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 44525100
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 44523890
1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine
CID 44526345
3-[[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]aniline
CID 44524923
4-[2-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526500
2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 44526395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol (CID 44525119) is 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)CC1.
What is the InChIKey of 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is KGSIRZKSSUNYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c27-23-7-8-24-25(17-23)29-26(28-24)22-6-2-5-21(16-22)20-4-1-3-19(15-20)18-31-11-9-30(10-12-31)13-14-32/h1-8,15-17,32H,9-14,18H2,(H,28,29).
What are the key properties of 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 430.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 44525119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).