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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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).