1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

C15H10F5N3O — CID 39041789

IUPAC1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H10F5N3O/c16-14(17)23-11-6-2-1-5-10(11)21-12(23)8-22-7-3-4-9(13(22)24)15(18,19)20/h1-7,14H,8H2
InChIKeyZCQFLVRIYGNMJF-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.66
Rot. Bonds3

About 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 39041789) has the molecular formula C15H10F5N3O and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID39041789
Molecular FormulaC15H10F5N3O
Molecular Weight343.26 g/mol
Exact Mass343.07
IUPAC Name1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H10F5N3O/c16-14(17)23-11-6-2-1-5-10(11)21-12(23)8-22-7-3-4-9(13(22)24)15(18,19)20/h1-7,14H,8H2
InChIKeyZCQFLVRIYGNMJF-UHFFFAOYSA-N
XLogP3.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one
CID 122159077
1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47058481
3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 42952401
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 72887207
1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 134000947
(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
CID 94033633
4-benzyl-3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 16625188
(5S)-3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 25348218
1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one
CID 135362723
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 32830038
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 154837682
(2S)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-1-ethylsulfonyl-N-methylpropan-2-amine
CID 95900557

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 39041789) is 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZCQFLVRIYGNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O/c16-14(17)23-11-6-2-1-5-10(11)21-12(23)8-22-7-3-4-9(13(22)24)15(18,19)20/h1-7,14H,8H2.
What are the key properties of 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 343.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39041789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).