2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine

C13H9N3S2 — CID 80745172

IUPAC2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1
InChIInChI=1S/C13H9N3S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,14H2,(H,15,16)
InChIKeyCUCLFBZRDJZAMA-UHFFFAOYSA-N
MW271.37 g/mol
LogP4.09
Rot. Bonds1

About 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine

2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine (PubChem CID 80745172) has the molecular formula C13H9N3S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine
PubChem CID80745172
Molecular FormulaC13H9N3S2
Molecular Weight271.37 g/mol
Exact Mass271.02
IUPAC Name2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1
InChIInChI=1S/C13H9N3S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,14H2,(H,15,16)
InChIKeyCUCLFBZRDJZAMA-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
CID 80744714
2-thieno[3,2-b]thiophen-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 80738587
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3H-benzimidazol-5-amine
CID 28545864
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
CID 28742910

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine?
The IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine (CID 80745172) is 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1.
What is the InChIKey of 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine?
The InChIKey is CUCLFBZRDJZAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine?
2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine has a molecular weight of 271.37 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]thiophen-5-yl-3H-benzimidazol-5-amine is sourced from PubChem (CID 80745172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).