2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine

C15H11N3S — CID 63692785

IUPAC2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cc4ccccc4s3)nc12
InChIInChI=1S/C15H11N3S/c16-10-5-3-6-11-14(10)18-15(17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,16H2,(H,17,18)
InChIKeyHPCDJYNIDWUNEA-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.03
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine

2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine (PubChem CID 63692785) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine
PubChem CID63692785
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cc4ccccc4s3)nc12
InChIInChI=1S/C15H11N3S/c16-10-5-3-6-11-14(10)18-15(17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,16H2,(H,17,18)
InChIKeyHPCDJYNIDWUNEA-UHFFFAOYSA-N
XLogP4.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine 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-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine (CID 63692785) is 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3cc4ccccc4s3)nc12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine?
The InChIKey is HPCDJYNIDWUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c16-10-5-3-6-11-14(10)18-15(17-11)13-8-9-4-1-2-7-12(9)19-13/h1-8H,16H2,(H,17,18).
What are the key properties of 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine?
2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine has a molecular weight of 265.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63692785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).