2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole

C27H28F2N4O — CID 10837761

IUPAC2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28F2N4O/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)34-18-17-32-13-15-33(16-14-32)19-26-30-24-3-1-2-4-25(24)31-26/h1-12,27H,13-19H2,(H,30,31)
InChIKeyWYPGDIUNVVQDKO-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.76
Rot. Bonds8

About 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 10837761) has the molecular formula C27H28F2N4O and a molecular weight of 462.54 g/mol. Its IUPAC name is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID10837761
Molecular FormulaC27H28F2N4O
Molecular Weight462.54 g/mol
Exact Mass462.22
IUPAC Name2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28F2N4O/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)34-18-17-32-13-15-33(16-14-32)19-26-30-24-3-1-2-4-25(24)31-26/h1-12,27H,13-19H2,(H,30,31)
InChIKeyWYPGDIUNVVQDKO-UHFFFAOYSA-N
XLogP4.76
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole (CID 10837761) is 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole is Fc1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is WYPGDIUNVVQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)34-18-17-32-13-15-33(16-14-32)19-26-30-24-3-1-2-4-25(24)31-26/h1-12,27H,13-19H2,(H,30,31).
What are the key properties of 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 462.54 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 10837761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).