7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C18H24FN3O2 — CID 72942036

IUPAC7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILES[11CH3]c1cc(F)c2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)/i1-1
InChIKeyKRRSQJOVDWYKHH-BJUDXGSMSA-N
MW332.41 g/mol
LogP2.59
Rot. Bonds2

About 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 72942036) has the molecular formula C18H24FN3O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID72942036
Molecular FormulaC18H24FN3O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILES[11CH3]c1cc(F)c2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)/i1-1
InChIKeyKRRSQJOVDWYKHH-BJUDXGSMSA-N
XLogP2.59
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 72942036) is 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is [11CH3]c1cc(F)c2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1.
What is the InChIKey of 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KRRSQJOVDWYKHH-BJUDXGSMSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)/i1-1.
What are the key properties of 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 332.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(111C)methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 72942036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).