2-thiophen-3-yl-3H-benzimidazol-5-amine

C11H9N3S — CID 24692071

IUPAC2-thiophen-3-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C11H9N3S/c12-8-1-2-9-10(5-8)14-11(13-9)7-3-4-15-6-7/h1-6H,12H2,(H,13,14)
InChIKeyLPXARYTXHJXWTI-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.87
Rot. Bonds1

About 2-thiophen-3-yl-3H-benzimidazol-5-amine

2-thiophen-3-yl-3H-benzimidazol-5-amine (PubChem CID 24692071) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-thiophen-3-yl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-thiophen-3-yl-3H-benzimidazol-5-amine
PubChem CID24692071
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-thiophen-3-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C11H9N3S/c12-8-1-2-9-10(5-8)14-11(13-9)7-3-4-15-6-7/h1-6H,12H2,(H,13,14)
InChIKeyLPXARYTXHJXWTI-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
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
N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide
CID 47052816
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
CID 28742910

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3H-benzimidazol-5-amine?
The IUPAC name of 2-thiophen-3-yl-3H-benzimidazol-5-amine (CID 24692071) is 2-thiophen-3-yl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-thiophen-3-yl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-thiophen-3-yl-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccsc3)[nH]c2c1.
What is the InChIKey of 2-thiophen-3-yl-3H-benzimidazol-5-amine?
The InChIKey is LPXARYTXHJXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-8-1-2-9-10(5-8)14-11(13-9)7-3-4-15-6-7/h1-6H,12H2,(H,13,14).
What are the key properties of 2-thiophen-3-yl-3H-benzimidazol-5-amine?
2-thiophen-3-yl-3H-benzimidazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3H-benzimidazol-5-amine is sourced from PubChem (CID 24692071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).