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

C20H30N6O — CID 72862494

IUPAC2-(4,5-dimethylimidazol-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)Cn1cnc(C)c1C)CC2
InChIInChI=1S/C20H30N6O/c1-4-8-26-9-5-17-19(22-13-21-17)20(26)6-10-24(11-7-20)18(27)12-25-14-23-15(2)16(25)3/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyXBFHMMJIJKEDDK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.01
Rot. Bonds4

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

2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (PubChem CID 72862494) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
PubChem CID72862494
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-(4,5-dimethylimidazol-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)Cn1cnc(C)c1C)CC2
InChIInChI=1S/C20H30N6O/c1-4-8-26-9-5-17-19(22-13-21-17)20(26)6-10-24(11-7-20)18(27)12-25-14-23-15(2)16(25)3/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyXBFHMMJIJKEDDK-UHFFFAOYSA-N
XLogP2.01
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-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-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (CID 72862494) is 2-(4,5-dimethylimidazol-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-(4,5-dimethylimidazol-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-(4,5-dimethylimidazol-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)Cn1cnc(C)c1C)CC2.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The InChIKey is XBFHMMJIJKEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-4-8-26-9-5-17-19(22-13-21-17)20(26)6-10-24(11-7-20)18(27)12-25-14-23-15(2)16(25)3/h13-14H,4-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
2-(4,5-dimethylimidazol-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 370.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-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 72862494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).