4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol

C17H20FN3O — CID 70076817

IUPAC4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol
SMILESCN(C)CCN1c2ccccc2NC1c1ccc(O)c(F)c1
InChIInChI=1S/C17H20FN3O/c1-20(2)9-10-21-15-6-4-3-5-14(15)19-17(21)12-7-8-16(22)13(18)11-12/h3-8,11,17,19,22H,9-10H2,1-2H3
InChIKeyOSXKIRZOIPKFDX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.02
Rot. Bonds4

About 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol

4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol (PubChem CID 70076817) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol
PubChem CID70076817
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol
SMILESCN(C)CCN1c2ccccc2NC1c1ccc(O)c(F)c1
InChIInChI=1S/C17H20FN3O/c1-20(2)9-10-21-15-6-4-3-5-14(15)19-17(21)12-7-8-16(22)13(18)11-12/h3-8,11,17,19,22H,9-10H2,1-2H3
InChIKeyOSXKIRZOIPKFDX-UHFFFAOYSA-N
XLogP3.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol (CID 70076817) is 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol is CN(C)CCN1c2ccccc2NC1c1ccc(O)c(F)c1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol?
The InChIKey is OSXKIRZOIPKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-20(2)9-10-21-15-6-4-3-5-14(15)19-17(21)12-7-8-16(22)13(18)11-12/h3-8,11,17,19,22H,9-10H2,1-2H3.
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol?
4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol has a molecular weight of 301.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]-1,2-dihydrobenzimidazol-2-yl]-2-fluorophenol is sourced from PubChem (CID 70076817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).