2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole

C17H24FN3 — CID 63125249

IUPAC2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C2(CC)CCNCC2)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3/c1-3-11-21-15-6-5-13(18)12-14(15)20-16(21)17(4-2)7-9-19-10-8-17/h5-6,12,19H,3-4,7-11H2,1-2H3
InChIKeyDTDYDVQAXCXHGK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole

2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole (PubChem CID 63125249) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
PubChem CID63125249
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C2(CC)CCNCC2)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3/c1-3-11-21-15-6-5-13(18)12-14(15)20-16(21)17(4-2)7-9-19-10-8-17/h5-6,12,19H,3-4,7-11H2,1-2H3
InChIKeyDTDYDVQAXCXHGK-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole?
The IUPAC name of 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole (CID 63125249) is 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole is CCCn1c(C2(CC)CCNCC2)nc2cc(F)ccc21.
What is the InChIKey of 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole?
The InChIKey is DTDYDVQAXCXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-11-21-15-6-5-13(18)12-14(15)20-16(21)17(4-2)7-9-19-10-8-17/h5-6,12,19H,3-4,7-11H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole?
2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole has a molecular weight of 289.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole is sourced from PubChem (CID 63125249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).