1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C15H13BrN2OS — CID 105114477

IUPAC1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2csc(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN2OS/c1-2-18-12-6-4-3-5-11(12)17-15(18)8-13(19)10-7-14(16)20-9-10/h3-7,9H,2,8H2,1H3
InChIKeyKWLUEKANZCYEBZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.31
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 105114477) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID105114477
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2csc(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN2OS/c1-2-18-12-6-4-3-5-11(12)17-15(18)8-13(19)10-7-14(16)20-9-10/h3-7,9H,2,8H2,1H3
InChIKeyKWLUEKANZCYEBZ-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

1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967691
1-(5-iodothiophen-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115782049
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105114551
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(2,5-dichlorothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967692
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 105114477) is 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)c2csc(Br)c2)nc2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is KWLUEKANZCYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-2-18-12-6-4-3-5-11(12)17-15(18)8-13(19)10-7-14(16)20-9-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-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-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 105114477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).