2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone

C17H15BrN2O2 — CID 23938133

IUPAC2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)17(21)11-22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3
InChIKeyCIHOQPHMUIFYCX-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone

2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone (PubChem CID 23938133) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
PubChem CID23938133
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)17(21)11-22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3
InChIKeyCIHOQPHMUIFYCX-UHFFFAOYSA-N
XLogP4.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
CID 66728095
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
1-(benzotriazol-1-yl)-2-(4-methylphenoxy)ethanone
CID 14896987
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone
CID 34317789

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone (CID 23938133) is 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone is CCc1nc2ccccc2n1C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone?
The InChIKey is CIHOQPHMUIFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)17(21)11-22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone?
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone has a molecular weight of 359.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 23938133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).