1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole

C15H20FN3 — CID 107070471

IUPAC1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2NCCCC2C)nc2cc(F)ccc21
InChIInChI=1S/C15H20FN3/c1-3-19-13-7-6-11(16)9-12(13)18-15(19)14-10(2)5-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3
InChIKeyAQVBTWUZKFOTGD-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.26
Rot. Bonds2

About 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole

1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole (PubChem CID 107070471) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
PubChem CID107070471
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2NCCCC2C)nc2cc(F)ccc21
InChIInChI=1S/C15H20FN3/c1-3-19-13-7-6-11(16)9-12(13)18-15(19)14-10(2)5-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3
InChIKeyAQVBTWUZKFOTGD-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole (CID 107070471) is 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole is CCn1c(C2NCCCC2C)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The InChIKey is AQVBTWUZKFOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-19-13-7-6-11(16)9-12(13)18-15(19)14-10(2)5-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole is sourced from PubChem (CID 107070471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).