5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one

C16H11F2N3OS — CID 122159077

IUPAC5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H11F2N3OS/c17-16(18)21-12-4-2-1-3-11(12)19-14(21)9-20-7-5-13-10(15(20)22)6-8-23-13/h1-8,16H,9H2
InChIKeyIMHCENVVYMRNEF-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.86
Rot. Bonds3

About 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one

5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 122159077) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one
PubChem CID122159077
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H11F2N3OS/c17-16(18)21-12-4-2-1-3-11(12)19-14(21)9-20-7-5-13-10(15(20)22)6-8-23-13/h1-8,16H,9H2
InChIKeyIMHCENVVYMRNEF-UHFFFAOYSA-N
XLogP3.86
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one (CID 122159077) is 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1nc2ccccc2n1C(F)F.
What is the InChIKey of 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is IMHCENVVYMRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-16(18)21-12-4-2-1-3-11(12)19-14(21)9-20-7-5-13-10(15(20)22)6-8-23-13/h1-8,16H,9H2.
What are the key properties of 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one?
5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 331.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 122159077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).