Basic information
- CAS
69570-95-2- Standard SMILES
Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1- InChIKey
DCBQWCSRVVGWAN-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- Stk857277
- IUPAC
- N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
- English name
- N,N-DIMETHYL-4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)BENZENAMINE
- Molecular formula
- C16H17N3
- Molecular weight
- 251.33
Names & synonyms
69570-95-2STK857277DTXSID30359194RefChem:382307DTXCID10310248N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)anilineN,N-DIMETHYL-4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE5-Methyl-2-[4-(dimethylamino)phenyl]-1H-benzoimidazoleV-161N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)anilineN,N-dimethyl-4-(6-methyl-1H-benzo[d]imidazol-2-yl)anilinestarbld0043736
Show more names
2-[4(-DiMethylaMino)phenyl]-5-MethylbenziMidazole, 95%Dimethyl-[4-(5-methyl-1H-benzoimidazol-2-yl)-phenyl]-amineN,N-Dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)-benzenamineBenzenamine, N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)-N,N-DIMETHYL-4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)BENZENAMINE
orb2945111CHEMBL4528654SCHEMBL17370980SCHEMBL22232949SCHEMBL31005272SCHEMBL31005274HMS1700E02AKOS000629727
Database identifiers
- CAS
69570-95-2- PubChem CID
- 950737
- DTXSID
DTXSID30359194- ChEMBL
CHEMBL4528654- Nikkaji
- J2.525.191A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 209.5 · 209.5-211.0 °C
- Boiling point
- 459.3 · 459.3±47.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.10(Predicted)
Chemistry & industry
Applications
UsesV-161 is the orally active inhibitor for Na+-V-ATPase with an IC50 of 144 nM. V-161 inhibits Enterococcus hirae and Vancomycin-resistant Enterococcus faecium (VRE) under alkaline condition with MIC of 4 μg/mL and 4 μg/mL. V-161 inhibits colonization of VRE in mouse small intestine[1].
Suppliers3 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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