3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H28FN5O2 — CID 46557771

IUPAC3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN5O2/c25-18-5-7-19(8-6-18)28-13-15-29(16-14-28)23(31)17-27-11-9-20(10-12-27)30-22-4-2-1-3-21(22)26-24(30)32/h1-8,20H,9-17H2,(H,26,32)
InChIKeyDQAMEJIRBGSAMG-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.45
Rot. Bonds4

About 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 46557771) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID46557771
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN5O2/c25-18-5-7-19(8-6-18)28-13-15-29(16-14-28)23(31)17-27-11-9-20(10-12-27)30-22-4-2-1-3-21(22)26-24(30)32/h1-8,20H,9-17H2,(H,26,32)
InChIKeyDQAMEJIRBGSAMG-UHFFFAOYSA-N
XLogP2.45
TPSA64.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 46557771) is 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DQAMEJIRBGSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c25-18-5-7-19(8-6-18)28-13-15-29(16-14-28)23(31)17-27-11-9-20(10-12-27)30-22-4-2-1-3-21(22)26-24(30)32/h1-8,20H,9-17H2,(H,26,32).
What are the key properties of 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 437.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 46557771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).