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

C16H15FN4OS — CID 141466173

IUPAC6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C16H15FN4OS/c1-7-14-8(2-3-19-7)4-12(23-14)16-20-11-6-9(17)5-10(15(18)22)13(11)21-16/h4-7,19H,2-3H2,1H3,(H2,18,22)(H,20,21)
InChIKeyANXZOJPKYNUICG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.74
Rot. Bonds2

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

6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466173) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466173
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C16H15FN4OS/c1-7-14-8(2-3-19-7)4-12(23-14)16-20-11-6-9(17)5-10(15(18)22)13(11)21-16/h4-7,19H,2-3H2,1H3,(H2,18,22)(H,20,21)
InChIKeyANXZOJPKYNUICG-UHFFFAOYSA-N
XLogP2.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466173) is 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21.
What is the InChIKey of 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ANXZOJPKYNUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-7-14-8(2-3-19-7)4-12(23-14)16-20-11-6-9(17)5-10(15(18)22)13(11)21-16/h4-7,19H,2-3H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).