1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one

C18H24FN3O2 — CID 87705510

IUPAC1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCc1ccc2c(c1)n(C1CCN(C3CCOCC3)CC1)c(=O)n2F
InChIInChI=1S/C18H24FN3O2/c1-13-2-3-16-17(12-13)21(18(23)22(16)19)15-4-8-20(9-5-15)14-6-10-24-11-7-14/h2-3,12,14-15H,4-11H2,1H3
InChIKeyOXZKILIJGMZCCC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.66
Rot. Bonds2

About 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one

1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 87705510) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one
PubChem CID87705510
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCc1ccc2c(c1)n(C1CCN(C3CCOCC3)CC1)c(=O)n2F
InChIInChI=1S/C18H24FN3O2/c1-13-2-3-16-17(12-13)21(18(23)22(16)19)15-4-8-20(9-5-15)14-6-10-24-11-7-14/h2-3,12,14-15H,4-11H2,1H3
InChIKeyOXZKILIJGMZCCC-UHFFFAOYSA-N
XLogP2.66
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 69245981
5-methyl-3-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazol-2-one;hydrochloride
CID 69173233
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967946
5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 58089586
5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029193
4-methyl-1-(oxan-4-yl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66584532
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one
CID 130431381
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 70720743
1-(oxan-4-yl)piperidin-4-one
CID 43610249
5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029425
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 15839538

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one (CID 87705510) is 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one is Cc1ccc2c(c1)n(C1CCN(C3CCOCC3)CC1)c(=O)n2F.
What is the InChIKey of 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is OXZKILIJGMZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-2-3-16-17(12-13)21(18(23)22(16)19)15-4-8-20(9-5-15)14-6-10-24-11-7-14/h2-3,12,14-15H,4-11H2,1H3.
What are the key properties of 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one?
1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 87705510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).