3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

C17H12F3N3O2 — CID 121471039

IUPAC3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1ccc(CC2NC(=O)n3c2nc2ccc(F)cc23)c(F)c1F
InChIInChI=1S/C17H12F3N3O2/c1-25-13-5-2-8(14(19)15(13)20)6-11-16-21-10-4-3-9(18)7-12(10)23(16)17(24)22-11/h2-5,7,11H,6H2,1H3,(H,22,24)
InChIKeyIQFAOHVPLDXRPW-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.32
Rot. Bonds3

About 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (PubChem CID 121471039) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.

Molecular Properties

Compound Name3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
PubChem CID121471039
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1ccc(CC2NC(=O)n3c2nc2ccc(F)cc23)c(F)c1F
InChIInChI=1S/C17H12F3N3O2/c1-25-13-5-2-8(14(19)15(13)20)6-11-16-21-10-4-3-9(18)7-12(10)23(16)17(24)22-11/h2-5,7,11H,6H2,1H3,(H,22,24)
InChIKeyIQFAOHVPLDXRPW-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The IUPAC name of 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (CID 121471039) is 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.
What is the SMILES notation for 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The canonical SMILES for 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is COc1ccc(CC2NC(=O)n3c2nc2ccc(F)cc23)c(F)c1F.
What is the InChIKey of 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The InChIKey is IQFAOHVPLDXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-25-13-5-2-8(14(19)15(13)20)6-11-16-21-10-4-3-9(18)7-12(10)23(16)17(24)22-11/h2-5,7,11H,6H2,1H3,(H,22,24).
What are the key properties of 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one has a molecular weight of 347.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluoro-4-methoxyphenyl)methyl]-7-fluoro-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is sourced from PubChem (CID 121471039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).