6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide

C16H15FN4OS — CID 141466238

IUPAC6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCc2sc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)cc2C1
InChIInChI=1S/C16H15FN4OS/c1-21-3-2-12-8(7-21)4-13(23-12)16-19-11-6-9(17)5-10(15(18)22)14(11)20-16/h4-6H,2-3,7H2,1H3,(H2,18,22)(H,19,20)
InChIKeyHTBJXITVMAAPGH-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide

6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466238) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466238
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCc2sc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)cc2C1
InChIInChI=1S/C16H15FN4OS/c1-21-3-2-12-8(7-21)4-13(23-12)16-19-11-6-9(17)5-10(15(18)22)14(11)20-16/h4-6H,2-3,7H2,1H3,(H2,18,22)(H,19,20)
InChIKeyHTBJXITVMAAPGH-UHFFFAOYSA-N
XLogP2.52
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466238) is 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is CN1CCc2sc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)cc2C1.
What is the InChIKey of 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is HTBJXITVMAAPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-21-3-2-12-8(7-21)4-13(23-12)16-19-11-6-9(17)5-10(15(18)22)14(11)20-16/h4-6H,2-3,7H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).