3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

C17H11F4N3O2 — CID 121471074

IUPAC3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1c(F)c(F)c(CC2NC(=O)n3c2nc2ccccc23)c(F)c1F
InChIInChI=1S/C17H11F4N3O2/c1-26-15-13(20)11(18)7(12(19)14(15)21)6-9-16-22-8-4-2-3-5-10(8)24(16)17(25)23-9/h2-5,9H,6H2,1H3,(H,23,25)
InChIKeyKQRHFMWLPOXMGJ-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.46
Rot. Bonds3

About 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (PubChem CID 121471074) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.

Molecular Properties

Compound Name3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
PubChem CID121471074
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1c(F)c(F)c(CC2NC(=O)n3c2nc2ccccc23)c(F)c1F
InChIInChI=1S/C17H11F4N3O2/c1-26-15-13(20)11(18)7(12(19)14(15)21)6-9-16-22-8-4-2-3-5-10(8)24(16)17(25)23-9/h2-5,9H,6H2,1H3,(H,23,25)
InChIKeyKQRHFMWLPOXMGJ-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The IUPAC name of 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (CID 121471074) is 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.
What is the SMILES notation for 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The canonical SMILES for 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is COc1c(F)c(F)c(CC2NC(=O)n3c2nc2ccccc23)c(F)c1F.
What is the InChIKey of 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The InChIKey is KQRHFMWLPOXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c1-26-15-13(20)11(18)7(12(19)14(15)21)6-9-16-22-8-4-2-3-5-10(8)24(16)17(25)23-9/h2-5,9H,6H2,1H3,(H,23,25).
What are the key properties of 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one has a molecular weight of 365.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is sourced from PubChem (CID 121471074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).