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

C16H16N4OS — CID 141466203

IUPAC2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
InChIInChI=1S/C16H16N4OS/c1-20-6-5-12-9(8-20)7-13(22-12)16-18-11-4-2-3-10(15(17)21)14(11)19-16/h2-4,7H,5-6,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyZTCIUICUZCKHHL-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.38
Rot. Bonds2

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

2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466203) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466203
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1
InChIInChI=1S/C16H16N4OS/c1-20-6-5-12-9(8-20)7-13(22-12)16-18-11-4-2-3-10(15(17)21)14(11)19-16/h2-4,7H,5-6,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyZTCIUICUZCKHHL-UHFFFAOYSA-N
XLogP2.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466203) is 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is CN1CCc2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2C1.
What is the InChIKey of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZTCIUICUZCKHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-6-5-12-9(8-20)7-13(22-12)16-18-11-4-2-3-10(15(17)21)14(11)19-16/h2-4,7H,5-6,8H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).