2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine

C13H13N3S — CID 79976046

IUPAC2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine
SMILESCCc1ccsc1-c1nc2c(N)cccc2[nH]1
InChIInChI=1S/C13H13N3S/c1-2-8-6-7-17-12(8)13-15-10-5-3-4-9(14)11(10)16-13/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyZLWCIZXHYJSSTD-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.44
Rot. Bonds2

About 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine

2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine (PubChem CID 79976046) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine
PubChem CID79976046
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine
SMILESCCc1ccsc1-c1nc2c(N)cccc2[nH]1
InChIInChI=1S/C13H13N3S/c1-2-8-6-7-17-12(8)13-15-10-5-3-4-9(14)11(10)16-13/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyZLWCIZXHYJSSTD-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine (CID 79976046) is 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine is CCc1ccsc1-c1nc2c(N)cccc2[nH]1.
What is the InChIKey of 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine?
The InChIKey is ZLWCIZXHYJSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-8-6-7-17-12(8)13-15-10-5-3-4-9(14)11(10)16-13/h3-7H,2,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine?
2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine has a molecular weight of 243.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 79976046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).