2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide

C26H25FN4O2 — CID 118061663

IUPAC2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C26H25FN4O2/c27-19-5-9-21(10-6-19)33-22-11-7-20(8-12-22)31-24-4-2-1-3-23(24)29-26(31)18-13-15-30(16-14-18)17-25(28)32/h1-12,18H,13-17H2,(H2,28,32)
InChIKeyXJGPJBCBWRQJMD-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.62
Rot. Bonds6

About 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide

2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 118061663) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide
PubChem CID118061663
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C26H25FN4O2/c27-19-5-9-21(10-6-19)33-22-11-7-20(8-12-22)31-24-4-2-1-3-23(24)29-26(31)18-13-15-30(16-14-18)17-25(28)32/h1-12,18H,13-17H2,(H2,28,32)
InChIKeyXJGPJBCBWRQJMD-UHFFFAOYSA-N
XLogP4.62
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
2-cyclobutyl-1-(4-methylphenyl)benzimidazole
CID 7996379
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154631465
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 118061159
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
CID 14013012
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide (CID 118061663) is 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(c2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is XJGPJBCBWRQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-19-5-9-21(10-6-19)33-22-11-7-20(8-12-22)31-24-4-2-1-3-23(24)29-26(31)18-13-15-30(16-14-18)17-25(28)32/h1-12,18H,13-17H2,(H2,28,32).
What are the key properties of 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide?
2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 118061663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).