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

C17H17FN4OS — CID 141466213

IUPAC2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C17H17FN4OS/c1-2-11-15-8(3-4-20-11)5-13(24-15)17-21-12-7-9(18)6-10(16(19)23)14(12)22-17/h5-7,11,20H,2-4H2,1H3,(H2,19,23)(H,21,22)
InChIKeyPNPZDTYSNSOILZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.13
Rot. Bonds3

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

2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 141466213) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID141466213
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C17H17FN4OS/c1-2-11-15-8(3-4-20-11)5-13(24-15)17-21-12-7-9(18)6-10(16(19)23)14(12)22-17/h5-7,11,20H,2-4H2,1H3,(H2,19,23)(H,21,22)
InChIKeyPNPZDTYSNSOILZ-UHFFFAOYSA-N
XLogP3.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (CID 141466213) is 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is CCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21.
What is the InChIKey of 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is PNPZDTYSNSOILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-2-11-15-8(3-4-20-11)5-13(24-15)17-21-12-7-9(18)6-10(16(19)23)14(12)22-17/h5-7,11,20H,2-4H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).