3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C18H17N3O — CID 10935193

IUPAC3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1
InChIInChI=1S/C18H17N3O/c1-22-14-9-7-13(8-10-14)18-17(15-5-2-3-11-19-15)20-16-6-4-12-21(16)18/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyWOBKXRJWEJOYSB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.57
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 10935193) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID10935193
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1
InChIInChI=1S/C18H17N3O/c1-22-14-9-7-13(8-10-14)18-17(15-5-2-3-11-19-15)20-16-6-4-12-21(16)18/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyWOBKXRJWEJOYSB-UHFFFAOYSA-N
XLogP3.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 10935193) is 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is WOBKXRJWEJOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-14-9-7-13(8-10-14)18-17(15-5-2-3-11-19-15)20-16-6-4-12-21(16)18/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-(4-methoxyphenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 291.35 g/mol, XLogP of 3.57, 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-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 10935193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).