2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone

C13H10N2OS — CID 2392257

IUPAC2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15)
InChIKeyCJAQHQYQSUKLNY-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.05
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone

2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone (PubChem CID 2392257) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone
PubChem CID2392257
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15)
InChIKeyCJAQHQYQSUKLNY-UHFFFAOYSA-N
XLogP3.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone (CID 2392257) is 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone is O=C(Cc1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone?
The InChIKey is CJAQHQYQSUKLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone?
2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone has a molecular weight of 242.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 2392257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).