1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide

C17H16BrCl2N3O — CID 2881439

IUPAC1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O.BrH/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11;/h3-9,20H,2,10H2,1H3;1H/b20-17+;
InChIKeyIJGLGSKUKWIYBH-SJEOTZHBSA-N
MW429.15 g/mol
LogP4.71
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide

1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide (PubChem CID 2881439) has the molecular formula C17H16BrCl2N3O and a molecular weight of 429.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
PubChem CID2881439
Molecular FormulaC17H16BrCl2N3O
Molecular Weight429.15 g/mol
Exact Mass426.99
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O.BrH/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11;/h3-9,20H,2,10H2,1H3;1H/b20-17+;
InChIKeyIJGLGSKUKWIYBH-SJEOTZHBSA-N
XLogP4.71
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.15
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-Dichloro-phenyl)-2-[2-imino-3-(2-morpholin-4-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone
CID 6602688
1-(4-fluorophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
CID 24761194
2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl)-1-phenyl-ethanone
CID 2852336
1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanone
CID 703050
2-(3-allyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-phenylethanone hydrobromide
CID 2859255
1-(3,4-dichlorophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
CID 2881419
1-(4-chlorophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanone
CID 703047
1-(4-Chlorophenyl)-2-(4-ethyl-2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 17754488
N-[2-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide
CID 17754758
1-(4-Chlorophenyl)-2-(3-methyl-2-methyliminobenzimidazol-1-yl)ethanone
CID 17754798
1-(4-Chlorophenyl)-2-(2-imino-3,4-dimethylbenzimidazol-1-yl)ethanone
CID 25008271
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N,2,2-trimethylpropanamide
CID 44453201

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide (CID 2881439) is 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide is Br.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide?
The InChIKey is IJGLGSKUKWIYBH-SJEOTZHBSA-N. The full InChI is InChI=1S/C17H15Cl2N3O.BrH/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11;/h3-9,20H,2,10H2,1H3;1H/b20-17+;.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide?
1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide has a molecular weight of 429.15 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 2881439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).