1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole

C15H20FN3 — CID 62690625

IUPAC1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCCn1c(CC2CCCNC2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-2-19-13-7-3-6-12(16)15(13)18-14(19)9-11-5-4-8-17-10-11/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyQLZHGWDGDNISEP-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.74
Rot. Bonds3

About 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole

1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 62690625) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
PubChem CID62690625
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCCn1c(CC2CCCNC2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-2-19-13-7-3-6-12(16)15(13)18-14(19)9-11-5-4-8-17-10-11/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyQLZHGWDGDNISEP-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole (CID 62690625) is 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole is CCn1c(CC2CCCNC2)nc2c(F)cccc21.
What is the InChIKey of 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is QLZHGWDGDNISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19-13-7-3-6-12(16)15(13)18-14(19)9-11-5-4-8-17-10-11/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 62690625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).