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

C16H15FN4OS — CID 141466149

IUPAC6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1c(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)sc2c1CCNC2
InChIInChI=1S/C16H15FN4OS/c1-7-9-2-3-19-6-12(9)23-14(7)16-20-11-5-8(17)4-10(15(18)22)13(11)21-16/h4-5,19H,2-3,6H2,1H3,(H2,18,22)(H,20,21)
InChIKeyJDXLMISSSMZOIL-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.48
Rot. Bonds2

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

6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466149) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466149
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1c(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)sc2c1CCNC2
InChIInChI=1S/C16H15FN4OS/c1-7-9-2-3-19-6-12(9)23-14(7)16-20-11-5-8(17)4-10(15(18)22)13(11)21-16/h4-5,19H,2-3,6H2,1H3,(H2,18,22)(H,20,21)
InChIKeyJDXLMISSSMZOIL-UHFFFAOYSA-N
XLogP2.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 135800218
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CID 45480520
CID 45480520
CID 9795674
CID 9795674
CID 9817572
CID 9817572
CID 9903811
CID 9903811
CID 9925900
CID 9925900
CID 11842604
CID 11842604
CID 11960528
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CID 11960530
CID 11960530

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466149) is 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is Cc1c(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)sc2c1CCNC2.
What is the InChIKey of 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JDXLMISSSMZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-7-9-2-3-19-6-12(9)23-14(7)16-20-11-5-8(17)4-10(15(18)22)13(11)21-16/h4-5,19H,2-3,6H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).