5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C20H32N6 — CID 72923922

IUPAC5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(Cc1nccn1CC)CC2
InChIInChI=1S/C20H32N6/c1-3-5-10-26-11-6-17-19(23-16-22-17)20(26)7-12-24(13-8-20)15-18-21-9-14-25(18)4-2/h9,14,16H,3-8,10-13,15H2,1-2H3,(H,22,23)
InChIKeyOXTSHHUMQRCURO-UHFFFAOYSA-N
MW356.52 g/mol
LogP2.78
Rot. Bonds6

About 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72923922) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72923922
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(Cc1nccn1CC)CC2
InChIInChI=1S/C20H32N6/c1-3-5-10-26-11-6-17-19(23-16-22-17)20(26)7-12-24(13-8-20)15-18-21-9-14-25(18)4-2/h9,14,16H,3-8,10-13,15H2,1-2H3,(H,22,23)
InChIKeyOXTSHHUMQRCURO-UHFFFAOYSA-N
XLogP2.78
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72923922) is 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCCN1CCc2[nH]cnc2C12CCN(Cc1nccn1CC)CC2.
What is the InChIKey of 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is OXTSHHUMQRCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-3-5-10-26-11-6-17-19(23-16-22-17)20(26)7-12-24(13-8-20)15-18-21-9-14-25(18)4-2/h9,14,16H,3-8,10-13,15H2,1-2H3,(H,22,23).
What are the key properties of 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 356.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72923922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).