4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C17H14F3N3O — CID 118710309

IUPAC4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESFC(F)(F)Oc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)24-13-7-5-12(6-8-13)11-23-15-4-2-1-3-14(15)22-10-9-21-16(22)23/h1-8H,9-11H2
InChIKeyYGUUWMMGDCJZMZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.78
Rot. Bonds3

About 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 118710309) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID118710309
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESFC(F)(F)Oc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)24-13-7-5-12(6-8-13)11-23-15-4-2-1-3-14(15)22-10-9-21-16(22)23/h1-8H,9-11H2
InChIKeyYGUUWMMGDCJZMZ-UHFFFAOYSA-N
XLogP3.78
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 118710309) is 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is FC(F)(F)Oc1ccc(CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is YGUUWMMGDCJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)24-13-7-5-12(6-8-13)11-23-15-4-2-1-3-14(15)22-10-9-21-16(22)23/h1-8H,9-11H2.
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 333.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 118710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).