2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide

C17H18N4OS — CID 141466233

IUPAC2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
InChIInChI=1S/C17H18N4OS/c1-2-21-7-6-13-10(9-21)8-14(23-13)17-19-12-5-3-4-11(16(18)22)15(12)20-17/h3-5,8H,2,6-7,9H2,1H3,(H2,18,22)(H,19,20)
InChIKeyBSJKOBUSZMTFLW-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.77
Rot. Bonds3

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

2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466233) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466233
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
InChIInChI=1S/C17H18N4OS/c1-2-21-7-6-13-10(9-21)8-14(23-13)17-19-12-5-3-4-11(16(18)22)15(12)20-17/h3-5,8H,2,6-7,9H2,1H3,(H2,18,22)(H,19,20)
InChIKeyBSJKOBUSZMTFLW-UHFFFAOYSA-N
XLogP2.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466233) is 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is CCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1.
What is the InChIKey of 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is BSJKOBUSZMTFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-21-7-6-13-10(9-21)8-14(23-13)17-19-12-5-3-4-11(16(18)22)15(12)20-17/h3-5,8H,2,6-7,9H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).