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

C18H14F3N3O2 — CID 121471696

IUPAC3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1ccc(CC2NC(=O)n3c2nc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-12-5-2-10(3-6-12)8-14-16-22-13-9-11(18(19,20)21)4-7-15(13)24(16)17(25)23-14/h2-7,9,14H,8H2,1H3,(H,23,25)
InChIKeyKSZBRDOXPNWUOD-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.92
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (PubChem CID 121471696) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
PubChem CID121471696
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESCOc1ccc(CC2NC(=O)n3c2nc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-12-5-2-10(3-6-12)8-14-16-22-13-9-11(18(19,20)21)4-7-15(13)24(16)17(25)23-14/h2-7,9,14H,8H2,1H3,(H,23,25)
InChIKeyKSZBRDOXPNWUOD-UHFFFAOYSA-N
XLogP3.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (CID 121471696) is 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is COc1ccc(CC2NC(=O)n3c2nc2cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The InChIKey is KSZBRDOXPNWUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-12-5-2-10(3-6-12)8-14-16-22-13-9-11(18(19,20)21)4-7-15(13)24(16)17(25)23-14/h2-7,9,14H,8H2,1H3,(H,23,25).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one has a molecular weight of 361.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is sourced from PubChem (CID 121471696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).