3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one

C19H20FN3O — CID 139785932

IUPAC3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O/c20-15-6-7-17-18(12-15)23(19(24)21-17)16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,21,24)
InChIKeyFYFKUUVHCRMZML-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.31
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one

3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one (PubChem CID 139785932) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
PubChem CID139785932
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O/c20-15-6-7-17-18(12-15)23(19(24)21-17)16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,21,24)
InChIKeyFYFKUUVHCRMZML-UHFFFAOYSA-N
XLogP3.31
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-5-fluoro-1H-benzimidazol-2-one
CID 67474892
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 19863642
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 44573132
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 102281870
3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
5,6-dichloro-3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 130431384

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one (CID 139785932) is 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)cc2n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one?
The InChIKey is FYFKUUVHCRMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-6-7-17-18(12-15)23(19(24)21-17)16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,21,24).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one?
3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 139785932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).