3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C26H24FN3O2S — CID 17408820

IUPAC3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccc1SCc1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H24FN3O2S/c27-21-9-3-1-7-18(21)17-33-24-12-6-2-8-20(24)25(31)29-15-13-19(14-16-29)30-23-11-5-4-10-22(23)28-26(30)32/h1-12,19H,13-17H2,(H,28,32)
InChIKeyRCILPBIEHYIWOF-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.24
Rot. Bonds5

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

3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 17408820) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID17408820
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccc1SCc1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H24FN3O2S/c27-21-9-3-1-7-18(21)17-33-24-12-6-2-8-20(24)25(31)29-15-13-19(14-16-29)30-23-11-5-4-10-22(23)28-26(30)32/h1-12,19H,13-17H2,(H,28,32)
InChIKeyRCILPBIEHYIWOF-UHFFFAOYSA-N
XLogP5.24
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benperidol
CID 16363
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzo[b]thiophene-2-carboxamide
CID 25105692
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105711
4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232131
N-(2-aminophenyl)-4-((2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzamide
CID 10157327
N-(2-aminophenyl)-4-((1-ethyl-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzamide
CID 10202306
4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 44573689
3,4-difluoro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 44573728
(S)-4-fluoro-N-(1-(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)benzamide
CID 44573768

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 17408820) is 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccccc1SCc1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RCILPBIEHYIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c27-21-9-3-1-7-18(21)17-33-24-12-6-2-8-20(24)25(31)29-15-13-19(14-16-29)30-23-11-5-4-10-22(23)28-26(30)32/h1-12,19H,13-17H2,(H,28,32).
What are the key properties of 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 461.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 17408820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).