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

C20H23FN4OS — CID 141466124

IUPAC6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide
SMILESCC(C)CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4n3C)sc21
InChIInChI=1S/C20H23FN4OS/c1-10(2)6-14-18-11(4-5-23-14)7-16(27-18)20-24-17-13(19(22)26)8-12(21)9-15(17)25(20)3/h7-10,14,23H,4-6H2,1-3H3,(H2,22,26)
InChIKeyYMBFFLHVYTXNDP-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.77
Rot. Bonds4

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

6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide (PubChem CID 141466124) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide
PubChem CID141466124
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide
SMILESCC(C)CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4n3C)sc21
InChIInChI=1S/C20H23FN4OS/c1-10(2)6-14-18-11(4-5-23-14)7-16(27-18)20-24-17-13(19(22)26)8-12(21)9-15(17)25(20)3/h7-10,14,23H,4-6H2,1-3H3,(H2,22,26)
InChIKeyYMBFFLHVYTXNDP-UHFFFAOYSA-N
XLogP3.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide (CID 141466124) is 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide is CC(C)CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4n3C)sc21.
What is the InChIKey of 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide?
The InChIKey is YMBFFLHVYTXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-10(2)6-14-18-11(4-5-23-14)7-16(27-18)20-24-17-13(19(22)26)8-12(21)9-15(17)25(20)3/h7-10,14,23H,4-6H2,1-3H3,(H2,22,26).
What are the key properties of 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide?
6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-[7-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]benzimidazole-4-carboxamide is sourced from PubChem (CID 141466124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).