4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole

C14H18FN3O — CID 63870568

IUPAC4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
SMILESCn1c(COC2CCNCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3O/c1-18-12-4-2-3-11(15)14(12)17-13(18)9-19-10-5-7-16-8-6-10/h2-4,10,16H,5-9H2,1H3
InChIKeyHJRHHAWSEFYUHH-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole

4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole (PubChem CID 63870568) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
PubChem CID63870568
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
SMILESCn1c(COC2CCNCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3O/c1-18-12-4-2-3-11(15)14(12)17-13(18)9-19-10-5-7-16-8-6-10/h2-4,10,16H,5-9H2,1H3
InChIKeyHJRHHAWSEFYUHH-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The IUPAC name of 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole (CID 63870568) is 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole.
What is the SMILES notation for 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The canonical SMILES for 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole is Cn1c(COC2CCNCC2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
The InChIKey is HJRHHAWSEFYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18-12-4-2-3-11(15)14(12)17-13(18)9-19-10-5-7-16-8-6-10/h2-4,10,16H,5-9H2,1H3.
What are the key properties of 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole?
4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole has a molecular weight of 263.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole is sourced from PubChem (CID 63870568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).