1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C23H21N3O3 — CID 72719195

IUPAC1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H21N3O3/c27-21(18-7-5-17(6-8-18)15-25-14-11-24-16-25)26-12-9-23(10-13-26)20-4-2-1-3-19(20)22(28)29-23/h1-8,11,14,16H,9-10,12-13,15H2
InChIKeyRZVYEOSBUXWZMR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.23
Rot. Bonds3

About 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719195) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719195
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H21N3O3/c27-21(18-7-5-17(6-8-18)15-25-14-11-24-16-25)26-12-9-23(10-13-26)20-4-2-1-3-19(20)22(28)29-23/h1-8,11,14,16H,9-10,12-13,15H2
InChIKeyRZVYEOSBUXWZMR-UHFFFAOYSA-N
XLogP3.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719195) is 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is RZVYEOSBUXWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-21(18-7-5-17(6-8-18)15-25-14-11-24-16-25)26-12-9-23(10-13-26)20-4-2-1-3-19(20)22(28)29-23/h1-8,11,14,16H,9-10,12-13,15H2.
What are the key properties of 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 387.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(imidazol-1-ylmethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).