1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide

C14H20BrN3O — CID 2849598

IUPAC1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C14H19N3O.BrH/c1-14(2,3)12(18)9-17-11-8-6-5-7-10(11)16(4)13(17)15;/h5-8,15H,9H2,1-4H3;1H/b15-13+;
InChIKeyINZTWJSSAGTCRH-GVYCEHEKSA-N
MW326.24 g/mol
LogP2.65
Rot. Bonds2

About 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide

1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (PubChem CID 2849598) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.

Molecular Properties

Compound Name1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
PubChem CID2849598
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C14H19N3O.BrH/c1-14(2,3)12(18)9-17-11-8-6-5-7-10(11)16(4)13(17)15;/h5-8,15H,9H2,1-4H3;1H/b15-13+;
InChIKeyINZTWJSSAGTCRH-GVYCEHEKSA-N
XLogP2.65
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The IUPAC name of 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide (CID 2849598) is 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide.
What is the SMILES notation for 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The canonical SMILES for 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)C(C)(C)C.
What is the InChIKey of 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
The InChIKey is INZTWJSSAGTCRH-GVYCEHEKSA-N. The full InChI is InChI=1S/C14H19N3O.BrH/c1-14(2,3)12(18)9-17-11-8-6-5-7-10(11)16(4)13(17)15;/h5-8,15H,9H2,1-4H3;1H/b15-13+;.
What are the key properties of 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide?
1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide has a molecular weight of 326.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide is sourced from PubChem (CID 2849598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).