1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C15H12Br2N2OS — CID 107967691

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2cc(Br)sc2Br)nc2ccccc21
InChIInChI=1S/C15H12Br2N2OS/c1-2-19-11-6-4-3-5-10(11)18-14(19)8-12(20)9-7-13(16)21-15(9)17/h3-7H,2,8H2,1H3
InChIKeyDSLYSNSWDVJSMW-UHFFFAOYSA-N
MW428.15 g/mol
LogP5.07
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 107967691) has the molecular formula C15H12Br2N2OS and a molecular weight of 428.15 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID107967691
Molecular FormulaC15H12Br2N2OS
Molecular Weight428.15 g/mol
Exact Mass425.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2cc(Br)sc2Br)nc2ccccc21
InChIInChI=1S/C15H12Br2N2OS/c1-2-19-11-6-4-3-5-10(11)18-14(19)8-12(20)9-7-13(16)21-15(9)17/h3-7H,2,8H2,1H3
InChIKeyDSLYSNSWDVJSMW-UHFFFAOYSA-N
XLogP5.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.15
LogP ≤ 55.07
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-dichlorothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967692
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
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-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 107967691) is 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)c2cc(Br)sc2Br)nc2ccccc21.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is DSLYSNSWDVJSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2OS/c1-2-19-11-6-4-3-5-10(11)18-14(19)8-12(20)9-7-13(16)21-15(9)17/h3-7H,2,8H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 428.15 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 107967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).