3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one

C15H9F5N2O — CID 44578831

IUPAC3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n1Cc1c(F)cccc1F
InChIInChI=1S/C15H9F5N2O/c16-10-2-1-3-11(17)9(10)7-22-13-6-8(15(18,19)20)4-5-12(13)21-14(22)23/h1-6H,7H2,(H,21,23)
InChIKeyMSZLRJMCIIYHJP-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.67
Rot. Bonds2

About 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one

3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 44578831) has the molecular formula C15H9F5N2O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID44578831
Molecular FormulaC15H9F5N2O
Molecular Weight328.24 g/mol
Exact Mass328.06
IUPAC Name3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n1Cc1c(F)cccc1F
InChIInChI=1S/C15H9F5N2O/c16-10-2-1-3-11(17)9(10)7-22-13-6-8(15(18,19)20)4-5-12(13)21-14(22)23/h1-6H,7H2,(H,21,23)
InChIKeyMSZLRJMCIIYHJP-UHFFFAOYSA-N
XLogP3.67
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one (CID 44578831) is 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2n1Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is MSZLRJMCIIYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O/c16-10-2-1-3-11(17)9(10)7-22-13-6-8(15(18,19)20)4-5-12(13)21-14(22)23/h1-6H,7H2,(H,21,23).
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 328.24 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 44578831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).