1-thiophen-3-ylbenzimidazol-5-amine

C11H9N3S — CID 66355194

IUPAC1-thiophen-3-ylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccsc1
InChIInChI=1S/C11H9N3S/c12-8-1-2-11-10(5-8)13-7-14(11)9-3-4-15-6-9/h1-7H,12H2
InChIKeyAXEHQQAEIBQSGA-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.67
Rot. Bonds1

About 1-thiophen-3-ylbenzimidazol-5-amine

1-thiophen-3-ylbenzimidazol-5-amine (PubChem CID 66355194) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-thiophen-3-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-thiophen-3-ylbenzimidazol-5-amine
PubChem CID66355194
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name1-thiophen-3-ylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccsc1
InChIInChI=1S/C11H9N3S/c12-8-1-2-11-10(5-8)13-7-14(11)9-3-4-15-6-9/h1-7H,12H2
InChIKeyAXEHQQAEIBQSGA-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylbenzimidazol-5-amine?
The IUPAC name of 1-thiophen-3-ylbenzimidazol-5-amine (CID 66355194) is 1-thiophen-3-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-thiophen-3-ylbenzimidazol-5-amine?
The canonical SMILES for 1-thiophen-3-ylbenzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylbenzimidazol-5-amine?
The InChIKey is AXEHQQAEIBQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-8-1-2-11-10(5-8)13-7-14(11)9-3-4-15-6-9/h1-7H,12H2.
What are the key properties of 1-thiophen-3-ylbenzimidazol-5-amine?
1-thiophen-3-ylbenzimidazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylbenzimidazol-5-amine is sourced from PubChem (CID 66355194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).