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

C19H27N3O2 — CID 25029193

IUPAC5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)C(C)C3)c2c1
InChIInChI=1S/C19H27N3O2/c1-13-3-4-17-18(11-13)22(19(23)20-17)16-5-8-21(14(2)12-16)15-6-9-24-10-7-15/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23)
InChIKeyAYQUUQLZWXDDLM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds2

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

5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25029193) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25029193
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)C(C)C3)c2c1
InChIInChI=1S/C19H27N3O2/c1-13-3-4-17-18(11-13)22(19(23)20-17)16-5-8-21(14(2)12-16)15-6-9-24-10-7-15/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23)
InChIKeyAYQUUQLZWXDDLM-UHFFFAOYSA-N
XLogP2.84
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 25029193) is 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)C(C)C3)c2c1.
What is the InChIKey of 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AYQUUQLZWXDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-3-4-17-18(11-13)22(19(23)20-17)16-5-8-21(14(2)12-16)15-6-9-24-10-7-15/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25029193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).