5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one

C13H15BrF3N3O — CID 62350783

IUPAC5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one
SMILESCNC(CC(F)(F)F)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C13H15BrF3N3O/c1-18-9(6-13(15,16)17)7-4-10-11(5-8(7)14)20(3)12(21)19(10)2/h4-5,9,18H,6H2,1-3H3
InChIKeyYNEIGQAMVNHRLE-UHFFFAOYSA-N
MW366.18 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one

5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one (PubChem CID 62350783) has the molecular formula C13H15BrF3N3O and a molecular weight of 366.18 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one
PubChem CID62350783
Molecular FormulaC13H15BrF3N3O
Molecular Weight366.18 g/mol
Exact Mass365.04
IUPAC Name5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one
SMILESCNC(CC(F)(F)F)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C13H15BrF3N3O/c1-18-9(6-13(15,16)17)7-4-10-11(5-8(7)14)20(3)12(21)19(10)2/h4-5,9,18H,6H2,1-3H3
InChIKeyYNEIGQAMVNHRLE-UHFFFAOYSA-N
XLogP2.85
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one 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 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one?
The IUPAC name of 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one (CID 62350783) is 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one.
What is the SMILES notation for 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one?
The canonical SMILES for 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one is CNC(CC(F)(F)F)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one?
The InChIKey is YNEIGQAMVNHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N3O/c1-18-9(6-13(15,16)17)7-4-10-11(5-8(7)14)20(3)12(21)19(10)2/h4-5,9,18H,6H2,1-3H3.
What are the key properties of 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one?
5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one has a molecular weight of 366.18 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-6-[3,3,3-trifluoro-1-(methylamino)propyl]benzimidazol-2-one is sourced from PubChem (CID 62350783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).