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

C18H17FN4OS — CID 141466151

IUPAC2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)C(C3CC3)NCC4)nc12
InChIInChI=1S/C18H17FN4OS/c19-10-6-11(17(20)24)15-12(7-10)22-18(23-15)13-5-9-3-4-21-14(8-1-2-8)16(9)25-13/h5-8,14,21H,1-4H2,(H2,20,24)(H,22,23)
InChIKeyOWOZSIHFAFXWTN-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.13
Rot. Bonds3

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

2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 141466151) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID141466151
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)C(C3CC3)NCC4)nc12
InChIInChI=1S/C18H17FN4OS/c19-10-6-11(17(20)24)15-12(7-10)22-18(23-15)13-5-9-3-4-21-14(8-1-2-8)16(9)25-13/h5-8,14,21H,1-4H2,(H2,20,24)(H,22,23)
InChIKeyOWOZSIHFAFXWTN-UHFFFAOYSA-N
XLogP3.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (CID 141466151) is 2-(7-cyclopropyl-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-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)C(C3CC3)NCC4)nc12.
What is the InChIKey of 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is OWOZSIHFAFXWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-10-6-11(17(20)24)15-12(7-10)22-18(23-15)13-5-9-3-4-21-14(8-1-2-8)16(9)25-13/h5-8,14,21H,1-4H2,(H2,20,24)(H,22,23).
What are the key properties of 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).