2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone

C19H28N6O — CID 72856499

IUPAC2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1C)CC2
InChIInChI=1S/C19H28N6O/c1-3-8-25-9-4-16-18(22-14-21-16)19(25)5-10-23(11-6-19)17(26)13-24-12-7-20-15(24)2/h7,12,14H,3-6,8-11,13H2,1-2H3,(H,21,22)
InChIKeyZGTFCEOMAGDOSZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone

2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (PubChem CID 72856499) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
PubChem CID72856499
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1C)CC2
InChIInChI=1S/C19H28N6O/c1-3-8-25-9-4-16-18(22-14-21-16)19(25)5-10-23(11-6-19)17(26)13-24-12-7-20-15(24)2/h7,12,14H,3-6,8-11,13H2,1-2H3,(H,21,22)
InChIKeyZGTFCEOMAGDOSZ-UHFFFAOYSA-N
XLogP1.70
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (CID 72856499) is 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone is CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1C)CC2.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The InChIKey is ZGTFCEOMAGDOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-8-25-9-4-16-18(22-14-21-16)19(25)5-10-23(11-6-19)17(26)13-24-12-7-20-15(24)2/h7,12,14H,3-6,8-11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 72856499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).