3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C18H19N3O2 — CID 4599866

IUPAC3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)cc1
InChIInChI=1S/C18H19N3O2/c1-23-14-9-7-13(8-10-14)17-20-12-4-5-15(20)18(22)21(17)16-6-2-3-11-19-16/h2-3,6-11,15,17H,4-5,12H2,1H3
InChIKeyVJWGBJFYFYOHRB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.60
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 4599866) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID4599866
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)cc1
InChIInChI=1S/C18H19N3O2/c1-23-14-9-7-13(8-10-14)17-20-12-4-5-15(20)18(22)21(17)16-6-2-3-11-19-16/h2-3,6-11,15,17H,4-5,12H2,1H3
InChIKeyVJWGBJFYFYOHRB-UHFFFAOYSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856698
3-(4-fluorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647029
(3R,7aS)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686191
(3R,7aS)-2-pyridin-2-yl-3-(2,4,5-trimethoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686202
3-(2-chlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647171
2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 3235752
(3S,7aS)-3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 7086308
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 18553461
3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308116
3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308809
2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856702

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 4599866) is 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is VJWGBJFYFYOHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-14-9-7-13(8-10-14)17-20-12-4-5-15(20)18(22)21(17)16-6-2-3-11-19-16/h2-3,6-11,15,17H,4-5,12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 309.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 4599866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).