1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

C24H22N4O — CID 142147306

IUPAC1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1cncc(-c2ccc3nc(N4CCC5(CC4)OCc4ccccc45)[nH]c3c2)c1
InChIInChI=1S/C24H22N4O/c1-2-6-20-19(4-1)16-29-24(20)9-12-28(13-10-24)23-26-21-8-7-17(14-22(21)27-23)18-5-3-11-25-15-18/h1-8,11,14-15H,9-10,12-13,16H2,(H,26,27)
InChIKeyWUZZUVVBBQWXKM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.65
Rot. Bonds2

About 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 142147306) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID142147306
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1cncc(-c2ccc3nc(N4CCC5(CC4)OCc4ccccc45)[nH]c3c2)c1
InChIInChI=1S/C24H22N4O/c1-2-6-20-19(4-1)16-29-24(20)9-12-28(13-10-24)23-26-21-8-7-17(14-22(21)27-23)18-5-3-11-25-15-18/h1-8,11,14-15H,9-10,12-13,16H2,(H,26,27)
InChIKeyWUZZUVVBBQWXKM-UHFFFAOYSA-N
XLogP4.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] 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 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 142147306) is 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1cncc(-c2ccc3nc(N4CCC5(CC4)OCc4ccccc45)[nH]c3c2)c1.
What is the InChIKey of 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is WUZZUVVBBQWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-6-20-19(4-1)16-29-24(20)9-12-28(13-10-24)23-26-21-8-7-17(14-22(21)27-23)18-5-3-11-25-15-18/h1-8,11,14-15H,9-10,12-13,16H2,(H,26,27).
What are the key properties of 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 382.47 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 142147306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).