1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one

C25H25N3O2 — CID 10222567

IUPAC1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one
SMILESCC(=O)n1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18(29)27-23-8-4-5-9-24(23)28(25(27)30)22-12-14-26(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17H2,1H3
InChIKeyPGTUKJHOMTXBSX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.45
Rot. Bonds3

About 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one

1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 10222567) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one
PubChem CID10222567
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one
SMILESCC(=O)n1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18(29)27-23-8-4-5-9-24(23)28(25(27)30)22-12-14-26(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17H2,1H3
InChIKeyPGTUKJHOMTXBSX-UHFFFAOYSA-N
XLogP4.45
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one (CID 10222567) is 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one is CC(=O)n1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21.
What is the InChIKey of 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is PGTUKJHOMTXBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18(29)27-23-8-4-5-9-24(23)28(25(27)30)22-12-14-26(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17H2,1H3.
What are the key properties of 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one?
1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 399.49 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 10222567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).