1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine

C14H19FN4 — CID 83018093

IUPAC1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine
SMILESCC1CCCC(C)N1n1c(N)nc2c(F)cccc21
InChIInChI=1S/C14H19FN4/c1-9-5-3-6-10(2)18(9)19-12-8-4-7-11(15)13(12)17-14(19)16/h4,7-10H,3,5-6H2,1-2H3,(H2,16,17)
InChIKeyCVBQOCUMXFAPBG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.66
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine

1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine (PubChem CID 83018093) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine
PubChem CID83018093
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine
SMILESCC1CCCC(C)N1n1c(N)nc2c(F)cccc21
InChIInChI=1S/C14H19FN4/c1-9-5-3-6-10(2)18(9)19-12-8-4-7-11(15)13(12)17-14(19)16/h4,7-10H,3,5-6H2,1-2H3,(H2,16,17)
InChIKeyCVBQOCUMXFAPBG-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine (CID 83018093) is 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine is CC1CCCC(C)N1n1c(N)nc2c(F)cccc21.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine?
The InChIKey is CVBQOCUMXFAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-9-5-3-6-10(2)18(9)19-12-8-4-7-11(15)13(12)17-14(19)16/h4,7-10H,3,5-6H2,1-2H3,(H2,16,17).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine?
1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 83018093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).