5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

C21H15F2N3OS — CID 146216742

IUPAC5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21
InChIInChI=1S/C21H15F2N3OS/c1-25-11-24-18-3-2-12(8-19(18)25)13-6-16(22)15(17(23)7-13)9-26-10-20-14(21(26)27)4-5-28-20/h2-8,11H,9-10H2,1H3
InChIKeyHGZZQZLONXOMSV-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.74
Rot. Bonds3

About 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (PubChem CID 146216742) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
PubChem CID146216742
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC Name5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21
InChIInChI=1S/C21H15F2N3OS/c1-25-11-24-18-3-2-12(8-19(18)25)13-6-16(22)15(17(23)7-13)9-26-10-20-14(21(26)27)4-5-28-20/h2-8,11H,9-10H2,1H3
InChIKeyHGZZQZLONXOMSV-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (CID 146216742) is 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is Cn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21.
What is the InChIKey of 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The InChIKey is HGZZQZLONXOMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c1-25-11-24-18-3-2-12(8-19(18)25)13-6-16(22)15(17(23)7-13)9-26-10-20-14(21(26)27)4-5-28-20/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one has a molecular weight of 395.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 146216742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).