1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide

C15H22BrN3O — CID 2851753

IUPAC1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C15H21N3O.BrH/c1-5-17-11-8-6-7-9-12(11)18(14(17)16)10-13(19)15(2,3)4;/h6-9,16H,5,10H2,1-4H3;1H/b16-14+;
InChIKeyZBSGCUZOMOXVLZ-BACBYAOASA-N
MW340.26 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide

1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (PubChem CID 2851753) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.

Molecular Properties

Compound Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
PubChem CID2851753
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C15H21N3O.BrH/c1-5-17-11-8-6-7-9-12(11)18(14(17)16)10-13(19)15(2,3)4;/h6-9,16H,5,10H2,1-4H3;1H/b16-14+;
InChIKeyZBSGCUZOMOXVLZ-BACBYAOASA-N
XLogP3.14
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (CID 2851753) is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.
What is the SMILES notation for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The canonical SMILES for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is Br.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)C(C)(C)C.
What is the InChIKey of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The InChIKey is ZBSGCUZOMOXVLZ-BACBYAOASA-N. The full InChI is InChI=1S/C15H21N3O.BrH/c1-5-17-11-8-6-7-9-12(11)18(14(17)16)10-13(19)15(2,3)4;/h6-9,16H,5,10H2,1-4H3;1H/b16-14+;.
What are the key properties of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide has a molecular weight of 340.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is sourced from PubChem (CID 2851753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).