3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C19H18FN3O2 — CID 24735719

IUPAC3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18FN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25)
InChIKeyPPXKTQKXZMNFME-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.95
Rot. Bonds2

About 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24735719) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24735719
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18FN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25)
InChIKeyPPXKTQKXZMNFME-UHFFFAOYSA-N
XLogP2.95
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70724622

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24735719) is 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PPXKTQKXZMNFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25).
What are the key properties of 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 339.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).