(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one

C18H20N2O2 — CID 167572151

IUPAC(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
SMILESO=C1C2CCCCN2[C@@H](c2ccco2)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18-15-9-4-5-11-19(15)17(16-10-6-12-22-16)20(18)13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15,17H,4-5,9,11,13H2/t15?,17-/m1/s1
InChIKeyGAWSAVRTCQDKDV-OMOCHNIRSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds3

About (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one

(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one (PubChem CID 167572151) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
PubChem CID167572151
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
SMILESO=C1C2CCCCN2[C@@H](c2ccco2)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18-15-9-4-5-11-19(15)17(16-10-6-12-22-16)20(18)13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15,17H,4-5,9,11,13H2/t15?,17-/m1/s1
InChIKeyGAWSAVRTCQDKDV-OMOCHNIRSA-N
XLogP3.18
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11878355
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
(3R,3aS,7aR)-1-benzyl-3-chloro-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 102256466
(3aR,7aR)-2-(furan-2-yl)-1,3-dihydroxy-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 1378893
(4S,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56641091
[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 97082294
2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 4640936
(4R,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56641085
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
(1R,4R,7S)-2,5-dibenzyl-7-pyrrolidin-1-yl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
CID 139193112
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-4a,5,6,7,8,8a-hexahydro-4H-quinoline-2,3-dione;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-4a,5,6,7,8,8a-hexahydro-4H-quinoline-2,3-dione
CID 162196794

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one?
The IUPAC name of (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one (CID 167572151) is (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one?
The canonical SMILES for (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one is O=C1C2CCCCN2[C@@H](c2ccco2)N1Cc1ccccc1.
What is the InChIKey of (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one?
The InChIKey is GAWSAVRTCQDKDV-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18-15-9-4-5-11-19(15)17(16-10-6-12-22-16)20(18)13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15,17H,4-5,9,11,13H2/t15?,17-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one?
(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one has a molecular weight of 296.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 167572151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).