5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine

C16H17FN4 — CID 58362572

IUPAC5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccccc3n2CCF)cn1
InChIInChI=1S/C16H17FN4/c1-20(2)15-8-7-12(11-18-15)16-19-13-5-3-4-6-14(13)21(16)10-9-17/h3-8,11H,9-10H2,1-2H3
InChIKeyOSZWPVRWWBREGX-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.13
Rot. Bonds4

About 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine

5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 58362572) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID58362572
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccccc3n2CCF)cn1
InChIInChI=1S/C16H17FN4/c1-20(2)15-8-7-12(11-18-15)16-19-13-5-3-4-6-14(13)21(16)10-9-17/h3-8,11H,9-10H2,1-2H3
InChIKeyOSZWPVRWWBREGX-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 58362572) is 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3ccccc3n2CCF)cn1.
What is the InChIKey of 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is OSZWPVRWWBREGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-20(2)15-8-7-12(11-18-15)16-19-13-5-3-4-6-14(13)21(16)10-9-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine?
5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 58362572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).