1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one

C24H27FN4O — CID 45270339

IUPAC1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O/c25-19-10-8-18(9-11-19)17-29-22-6-2-1-5-21(22)26-24(29)27-15-12-20(13-16-27)28-14-4-3-7-23(28)30/h1-2,5-6,8-11,20H,3-4,7,12-17H2
InChIKeyLUSFVKKEBIMJTI-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.20
Rot. Bonds4

About 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one

1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one (PubChem CID 45270339) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one
PubChem CID45270339
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O/c25-19-10-8-18(9-11-19)17-29-22-6-2-1-5-21(22)26-24(29)27-15-12-20(13-16-27)28-14-4-3-7-23(28)30/h1-2,5-6,8-11,20H,3-4,7,12-17H2
InChIKeyLUSFVKKEBIMJTI-UHFFFAOYSA-N
XLogP4.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one (CID 45270339) is 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one is O=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one?
The InChIKey is LUSFVKKEBIMJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-19-10-8-18(9-11-19)17-29-22-6-2-1-5-21(22)26-24(29)27-15-12-20(13-16-27)28-14-4-3-7-23(28)30/h1-2,5-6,8-11,20H,3-4,7,12-17H2.
What are the key properties of 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one?
1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 45270339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).