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

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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).