7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole

C18H15F2N3O — CID 19022713

IUPAC7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3(F)F)cc1
InChIInChI=1S/C18H15F2N3O/c1-24-14-4-2-12(3-5-14)15-16(13-6-9-21-10-7-13)23-11-8-18(19,20)17(23)22-15/h2-7,9-10H,8,11H2,1H3
InChIKeyAVKRBRDXHDHBFO-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.12
Rot. Bonds3

About 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole

7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole (PubChem CID 19022713) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole
PubChem CID19022713
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3(F)F)cc1
InChIInChI=1S/C18H15F2N3O/c1-24-14-4-2-12(3-5-14)15-16(13-6-9-21-10-7-13)23-11-8-18(19,20)17(23)22-15/h2-7,9-10H,8,11H2,1H3
InChIKeyAVKRBRDXHDHBFO-UHFFFAOYSA-N
XLogP4.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole?
The IUPAC name of 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole (CID 19022713) is 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole.
What is the SMILES notation for 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole?
The canonical SMILES for 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole is COc1ccc(-c2nc3n(c2-c2ccncc2)CCC3(F)F)cc1.
What is the InChIKey of 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole?
The InChIKey is AVKRBRDXHDHBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-24-14-4-2-12(3-5-14)15-16(13-6-9-21-10-7-13)23-11-8-18(19,20)17(23)22-15/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole?
7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole has a molecular weight of 327.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazole is sourced from PubChem (CID 19022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).