2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone

C13H11N3OS — CID 82358968

IUPAC2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
SMILESNc1nc2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C13H11N3OS/c14-13-15-9-4-1-2-5-10(9)16(13)8-11(17)12-6-3-7-18-12/h1-7H,8H2,(H2,14,15)
InChIKeyZFNQQWWOPPAIMT-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone

2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone (PubChem CID 82358968) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
PubChem CID82358968
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
SMILESNc1nc2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C13H11N3OS/c14-13-15-9-4-1-2-5-10(9)16(13)8-11(17)12-6-3-7-18-12/h1-7H,8H2,(H2,14,15)
InChIKeyZFNQQWWOPPAIMT-UHFFFAOYSA-N
XLogP2.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
CID 3700958
2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-thiophen-2-ylethanone bromide
CID 44656649
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 16973875
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
CID 82358892
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 781499
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
2-methyl-5-(2-oxo-2-thiophen-2-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-3-one
CID 777752
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone (CID 82358968) is 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone is Nc1nc2ccccc2n1CC(=O)c1cccs1.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is ZFNQQWWOPPAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-13-15-9-4-1-2-5-10(9)16(13)8-11(17)12-6-3-7-18-12/h1-7H,8H2,(H2,14,15).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone?
2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 257.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 82358968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).