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

C18H19FN4OS — CID 141466206

IUPAC6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)C1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C18H19FN4OS/c1-8(2)14-16-9(3-4-21-14)5-13(25-16)18-22-12-7-10(19)6-11(17(20)24)15(12)23-18/h5-8,14,21H,3-4H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyMJCWPISTEYQNBA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.37
Rot. Bonds3

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

6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466206) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466206
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)C1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C18H19FN4OS/c1-8(2)14-16-9(3-4-21-14)5-13(25-16)18-22-12-7-10(19)6-11(17(20)24)15(12)23-18/h5-8,14,21H,3-4H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyMJCWPISTEYQNBA-UHFFFAOYSA-N
XLogP3.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.37
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-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466206) is 6-fluoro-2-(7-propan-2-yl-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-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is CC(C)C1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21.
What is the InChIKey of 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is MJCWPISTEYQNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-8(2)14-16-9(3-4-21-14)5-13(25-16)18-22-12-7-10(19)6-11(17(20)24)15(12)23-18/h5-8,14,21H,3-4H2,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).