1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone

C15H13BrN2OS — CID 60778644

IUPAC1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)c1sccc1Br
InChIInChI=1S/C15H13BrN2OS/c1-2-14-17-11-5-3-4-6-12(11)18(14)9-13(19)15-10(16)7-8-20-15/h3-8H,2,9H2,1H3
InChIKeyQBSOYWCEQQHEHZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone

1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone (PubChem CID 60778644) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone
PubChem CID60778644
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)c1sccc1Br
InChIInChI=1S/C15H13BrN2OS/c1-2-14-17-11-5-3-4-6-12(11)18(14)9-13(19)15-10(16)7-8-20-15/h3-8H,2,9H2,1H3
InChIKeyQBSOYWCEQQHEHZ-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41041927
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55899331
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone (CID 60778644) is 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone is CCc1nc2ccccc2n1CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone?
The InChIKey is QBSOYWCEQQHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-2-14-17-11-5-3-4-6-12(11)18(14)9-13(19)15-10(16)7-8-20-15/h3-8H,2,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone?
1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone has a molecular weight of 349.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 60778644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).