4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine

C17H21N3O — CID 70378884

IUPAC4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine
SMILESc1ccc2c(c1)COC2(Cn1ccnc1)C1CCNCC1
InChIInChI=1S/C17H21N3O/c1-2-4-16-14(3-1)11-21-17(16,12-20-10-9-19-13-20)15-5-7-18-8-6-15/h1-4,9-10,13,15,18H,5-8,11-12H2
InChIKeyQKUNUEPHMJIQEY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.31
Rot. Bonds3

About 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine

4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine (PubChem CID 70378884) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine.

Molecular Properties

Compound Name4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine
PubChem CID70378884
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine
SMILESc1ccc2c(c1)COC2(Cn1ccnc1)C1CCNCC1
InChIInChI=1S/C17H21N3O/c1-2-4-16-14(3-1)11-21-17(16,12-20-10-9-19-13-20)15-5-7-18-8-6-15/h1-4,9-10,13,15,18H,5-8,11-12H2
InChIKeyQKUNUEPHMJIQEY-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1'-(4-imidazol-1-ylbutyl)-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 24782058
1-[[1-(4-chlorophenyl)-3H-isobenzofuran-1-yl]methyl]imidazole
CID 457002
1-(2,4-Difluorophenyl)-1-[(1H-imidazol-1-yl)methyl]-1,3-dihydroisobenzofuran
CID 457005
1-[[1-(4-phenylphenyl)-3H-isobenzofuran-1-yl]methyl]imidazole
CID 457007
1-[(1-phenyl-3H-isobenzofuran-1-yl)methyl]imidazole
CID 457008
1-[[1-[(4-chlorophenyl)methyl]-3H-isobenzofuran-1-yl]methyl]imidazole
CID 457010
6-[(5R)-5-(2,4-difluorophenyl)-5-(imidazol-1-ylmethyl)tetrahydrofuran-3-ylidene]-2-methyl-hexan-3-imine
CID 3009667
6-[(3R,5R)-5-(2,4-difluorophenyl)-5-(imidazol-1-ylmethyl)tetrahydrofuran-3-yl]-2-methyl-hexan-3-imine
CID 3009668
1-[2-[(E)-cinnamyl]oxy-2-phenyl-ethyl]imidazole
CID 6476078
1-[2-[(E)-cinnamyl]oxy-2-(p-tolyl)ethyl]imidazole
CID 49766654
1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 145878345
1-[[1-(4-chlorophenyl)-4-fluoro-3H-2-benzofuran-1-yl]methyl]imidazole
CID 19843322

Frequently Asked Questions

What is the IUPAC name of 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine?
The IUPAC name of 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine (CID 70378884) is 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine.
What is the SMILES notation for 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine?
The canonical SMILES for 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine is c1ccc2c(c1)COC2(Cn1ccnc1)C1CCNCC1.
What is the InChIKey of 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine?
The InChIKey is QKUNUEPHMJIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-4-16-14(3-1)11-21-17(16,12-20-10-9-19-13-20)15-5-7-18-8-6-15/h1-4,9-10,13,15,18H,5-8,11-12H2.
What are the key properties of 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine?
4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine has a molecular weight of 283.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine is sourced from PubChem (CID 70378884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).