1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one

C16H16N2OS — CID 58284825

IUPAC1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C16H16N2OS/c1-2-3-8-14(19)15-9-10-16(20-15)18-11-17-12-6-4-5-7-13(12)18/h4-7,9-11H,2-3,8H2,1H3
InChIKeyOOYKXUCSPOFKAJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.46
Rot. Bonds5

About 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one

1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one (PubChem CID 58284825) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one.

Molecular Properties

Compound Name1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
PubChem CID58284825
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C16H16N2OS/c1-2-3-8-14(19)15-9-10-16(20-15)18-11-17-12-6-4-5-7-13(12)18/h4-7,9-11H,2-3,8H2,1H3
InChIKeyOOYKXUCSPOFKAJ-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine
CID 58284836
5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
N-ethyl-5-(5-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284862
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-(5-nitrothiophen-2-yl)benzimidazole
CID 67862220
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
bis(1-butylbenzimidazole);ethane
CID 142164287
2-(benzimidazol-1-ylmethylidene)heptanoic acid
CID 66764704
N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
CID 171782138

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one?
The IUPAC name of 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one (CID 58284825) is 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one.
What is the SMILES notation for 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one?
The canonical SMILES for 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one is CCCCC(=O)c1ccc(-n2cnc3ccccc32)s1.
What is the InChIKey of 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one?
The InChIKey is OOYKXUCSPOFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-3-8-14(19)15-9-10-16(20-15)18-11-17-12-6-4-5-7-13(12)18/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one?
1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one has a molecular weight of 284.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one is sourced from PubChem (CID 58284825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).