2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine

C17H17F2N3 — CID 82146233

IUPAC2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
SMILESCc1ccc(-c2nc3cc(F)c(F)cc3n2CCN)cc1C
InChIInChI=1S/C17H17F2N3/c1-10-3-4-12(7-11(10)2)17-21-15-8-13(18)14(19)9-16(15)22(17)6-5-20/h3-4,7-9H,5-6,20H2,1-2H3
InChIKeyLFZKDVZWNGBGML-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.56
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine

2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine (PubChem CID 82146233) has the molecular formula C17H17F2N3 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
PubChem CID82146233
Molecular FormulaC17H17F2N3
Molecular Weight301.34 g/mol
Exact Mass301.14
IUPAC Name2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
SMILESCc1ccc(-c2nc3cc(F)c(F)cc3n2CCN)cc1C
InChIInChI=1S/C17H17F2N3/c1-10-3-4-12(7-11(10)2)17-21-15-8-13(18)14(19)9-16(15)22(17)6-5-20/h3-4,7-9H,5-6,20H2,1-2H3
InChIKeyLFZKDVZWNGBGML-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
4-[2-(3,4-difluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150475
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
CID 82146203

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine (CID 82146233) is 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine is Cc1ccc(-c2nc3cc(F)c(F)cc3n2CCN)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine?
The InChIKey is LFZKDVZWNGBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3/c1-10-3-4-12(7-11(10)2)17-21-15-8-13(18)14(19)9-16(15)22(17)6-5-20/h3-4,7-9H,5-6,20H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine?
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine has a molecular weight of 301.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82146233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).