1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole

C17H22FN3 — CID 63125197

IUPAC1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
SMILESCCC1(c2nc3c(F)cccc3n2C2CC2)CCNCC1
InChIInChI=1S/C17H22FN3/c1-2-17(8-10-19-11-9-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3
InChIKeyBRJVYHVAYOJGPZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.54
Rot. Bonds3

About 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole

1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole (PubChem CID 63125197) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
PubChem CID63125197
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
SMILESCCC1(c2nc3c(F)cccc3n2C2CC2)CCNCC1
InChIInChI=1S/C17H22FN3/c1-2-17(8-10-19-11-9-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3
InChIKeyBRJVYHVAYOJGPZ-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole (CID 63125197) is 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole is CCC1(c2nc3c(F)cccc3n2C2CC2)CCNCC1.
What is the InChIKey of 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole?
The InChIKey is BRJVYHVAYOJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-17(8-10-19-11-9-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole?
1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole has a molecular weight of 287.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole is sourced from PubChem (CID 63125197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).