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

C17H26BrN3O — CID 6603487

IUPAC1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C17H25N3O.BrH/c1-5-6-11-19-13-9-7-8-10-14(13)20(16(19)18)12-15(21)17(2,3)4;/h7-10,18H,5-6,11-12H2,1-4H3;1H/b18-16+;
InChIKeyHMMAKYFNGAIMGF-HYNBPGMHSA-N
MW368.32 g/mol
LogP3.92
Rot. Bonds5

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

1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (PubChem CID 6603487) has the molecular formula C17H26BrN3O and a molecular weight of 368.32 g/mol. Its IUPAC name is 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.

Molecular Properties

Compound Name1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
PubChem CID6603487
Molecular FormulaC17H26BrN3O
Molecular Weight368.32 g/mol
Exact Mass367.13
IUPAC Name1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C17H25N3O.BrH/c1-5-6-11-19-13-9-7-8-10-14(13)20(16(19)18)12-15(21)17(2,3)4;/h7-10,18H,5-6,11-12H2,1-4H3;1H/b18-16+;
InChIKeyHMMAKYFNGAIMGF-HYNBPGMHSA-N
XLogP3.92
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The IUPAC name of 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (CID 6603487) is 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.
What is the SMILES notation for 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The canonical SMILES for 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is Br.[H]/N=c1\n(CCCC)c2ccccc2n1CC(=O)C(C)(C)C.
What is the InChIKey of 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The InChIKey is HMMAKYFNGAIMGF-HYNBPGMHSA-N. The full InChI is InChI=1S/C17H25N3O.BrH/c1-5-6-11-19-13-9-7-8-10-14(13)20(16(19)18)12-15(21)17(2,3)4;/h7-10,18H,5-6,11-12H2,1-4H3;1H/b18-16+;.
What are the key properties of 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide has a molecular weight of 368.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is sourced from PubChem (CID 6603487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).