1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C22H26N4O2 — CID 72919666

IUPAC1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1coc3ccccc13)CC2
InChIInChI=1S/C22H26N4O2/c1-2-10-26-11-7-18-20(24-15-23-18)22(26)8-12-25(13-9-22)21(27)17-14-28-19-6-4-3-5-16(17)19/h3-6,14-15H,2,7-13H2,1H3,(H,23,24)
InChIKeyAXDPVWKYUUQWQN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.56
Rot. Bonds3

About 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72919666) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
PubChem CID72919666
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1coc3ccccc13)CC2
InChIInChI=1S/C22H26N4O2/c1-2-10-26-11-7-18-20(24-15-23-18)22(26)8-12-25(13-9-22)21(27)17-14-28-19-6-4-3-5-16(17)19/h3-6,14-15H,2,7-13H2,1H3,(H,23,24)
InChIKeyAXDPVWKYUUQWQN-UHFFFAOYSA-N
XLogP3.56
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72919666) is 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1coc3ccccc13)CC2.
What is the InChIKey of 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is AXDPVWKYUUQWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-10-26-11-7-18-20(24-15-23-18)22(26)8-12-25(13-9-22)21(27)17-14-28-19-6-4-3-5-16(17)19/h3-6,14-15H,2,7-13H2,1H3,(H,23,24).
What are the key properties of 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72919666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).