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

C19H21FN4OS — CID 141466125

IUPAC2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCCCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C19H21FN4OS/c1-2-3-4-13-17-10(5-6-22-13)7-15(26-17)19-23-14-9-11(20)8-12(18(21)25)16(14)24-19/h7-9,13,22H,2-6H2,1H3,(H2,21,25)(H,23,24)
InChIKeySNKAWMAERQERAY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.91
Rot. Bonds5

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

2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 141466125) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID141466125
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCCCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
InChIInChI=1S/C19H21FN4OS/c1-2-3-4-13-17-10(5-6-22-13)7-15(26-17)19-23-14-9-11(20)8-12(18(21)25)16(14)24-19/h7-9,13,22H,2-6H2,1H3,(H2,21,25)(H,23,24)
InChIKeySNKAWMAERQERAY-UHFFFAOYSA-N
XLogP3.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (CID 141466125) is 2-(7-butyl-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-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is CCCCC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21.
What is the InChIKey of 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is SNKAWMAERQERAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-2-3-4-13-17-10(5-6-22-13)7-15(26-17)19-23-14-9-11(20)8-12(18(21)25)16(14)24-19/h7-9,13,22H,2-6H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).