2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

C29H35N3O — CID 25208249

IUPAC2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
InChIKeyAGSZYJIDXUVIHA-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.59
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (PubChem CID 25208249) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
PubChem CID25208249
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
InChIKeyAGSZYJIDXUVIHA-UHFFFAOYSA-N
XLogP7.59
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole 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 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (CID 25208249) is 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The InChIKey is AGSZYJIDXUVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole has a molecular weight of 441.62 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 25208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).