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

C17H17FN4OS — CID 141466145

IUPAC1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide
SMILESCCn1c(-c2cc3c(s2)CNCC3)nc2c(C(N)=O)cc(F)cc21
InChIInChI=1S/C17H17FN4OS/c1-2-22-12-7-10(18)6-11(16(19)23)15(12)21-17(22)13-5-9-3-4-20-8-14(9)24-13/h5-7,20H,2-4,8H2,1H3,(H2,19,23)
InChIKeySEFVDSHLUATZOI-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.67
Rot. Bonds3

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

1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide (PubChem CID 141466145) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide
PubChem CID141466145
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide
SMILESCCn1c(-c2cc3c(s2)CNCC3)nc2c(C(N)=O)cc(F)cc21
InChIInChI=1S/C17H17FN4OS/c1-2-22-12-7-10(18)6-11(16(19)23)15(12)21-17(22)13-5-9-3-4-20-8-14(9)24-13/h5-7,20H,2-4,8H2,1H3,(H2,19,23)
InChIKeySEFVDSHLUATZOI-UHFFFAOYSA-N
XLogP2.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide (CID 141466145) is 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide is CCn1c(-c2cc3c(s2)CNCC3)nc2c(C(N)=O)cc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide?
The InChIKey is SEFVDSHLUATZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-2-22-12-7-10(18)6-11(16(19)23)15(12)21-17(22)13-5-9-3-4-20-8-14(9)24-13/h5-7,20H,2-4,8H2,1H3,(H2,19,23).
What are the key properties of 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide?
1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 141466145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).