3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C24H26FN3O — CID 25062954

IUPAC3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CC3CCCc4c(F)ccc2c43)CC1
InChIInChI=1S/C24H26FN3O/c25-19-9-8-18-22(14-15-4-3-5-17(19)23(15)18)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-2,6-9,15-16,22H,3-5,10-14H2,(H,26,29)
InChIKeyJSEWJEIHSLXJSQ-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.67
Rot. Bonds2

About 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25062954) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25062954
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CC3CCCc4c(F)ccc2c43)CC1
InChIInChI=1S/C24H26FN3O/c25-19-9-8-18-22(14-15-4-3-5-17(19)23(15)18)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-2,6-9,15-16,22H,3-5,10-14H2,(H,26,29)
InChIKeyJSEWJEIHSLXJSQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 25062954) is 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CC3CCCc4c(F)ccc2c43)CC1.
What is the InChIKey of 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JSEWJEIHSLXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-19-9-8-18-22(14-15-4-3-5-17(19)23(15)18)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-2,6-9,15-16,22H,3-5,10-14H2,(H,26,29).
What are the key properties of 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 391.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-fluoro-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25062954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).