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

C20H23FN4OS — CID 141466137

IUPAC2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide
SMILESCn1c(-c2cc3c(s2)C(C(C)(C)C)NCC3)nc2c(C(N)=O)cc(F)cc21
InChIInChI=1S/C20H23FN4OS/c1-20(2,3)17-16-10(5-6-23-17)7-14(27-16)19-24-15-12(18(22)26)8-11(21)9-13(15)25(19)4/h7-9,17,23H,5-6H2,1-4H3,(H2,22,26)
InChIKeyCBUXQQBZBZGKII-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.77
Rot. Bonds2

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

2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide (PubChem CID 141466137) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide
PubChem CID141466137
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide
SMILESCn1c(-c2cc3c(s2)C(C(C)(C)C)NCC3)nc2c(C(N)=O)cc(F)cc21
InChIInChI=1S/C20H23FN4OS/c1-20(2,3)17-16-10(5-6-23-17)7-14(27-16)19-24-15-12(18(22)26)8-11(21)9-13(15)25(19)4/h7-9,17,23H,5-6H2,1-4H3,(H2,22,26)
InChIKeyCBUXQQBZBZGKII-UHFFFAOYSA-N
XLogP3.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide?
The IUPAC name of 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide (CID 141466137) is 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide is Cn1c(-c2cc3c(s2)C(C(C)(C)C)NCC3)nc2c(C(N)=O)cc(F)cc21.
What is the InChIKey of 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide?
The InChIKey is CBUXQQBZBZGKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-20(2,3)17-16-10(5-6-23-17)7-14(27-16)19-24-15-12(18(22)26)8-11(21)9-13(15)25(19)4/h7-9,17,23H,5-6H2,1-4H3,(H2,22,26).
What are the key properties of 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide?
2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 141466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).