6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole

C15H21N3O — CID 95909409

IUPAC6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole
SMILESCCOc1ccc2ncn(CN3CCCCC3)c2c1
InChIInChI=1S/C15H21N3O/c1-2-19-13-6-7-14-15(10-13)18(11-16-14)12-17-8-4-3-5-9-17/h6-7,10-11H,2-5,8-9,12H2,1H3
InChIKeySAFDTQCOBVQMKB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.88
Rot. Bonds4

About 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole

6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole (PubChem CID 95909409) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole
PubChem CID95909409
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole
SMILESCCOc1ccc2ncn(CN3CCCCC3)c2c1
InChIInChI=1S/C15H21N3O/c1-2-19-13-6-7-14-15(10-13)18(11-16-14)12-17-8-4-3-5-9-17/h6-7,10-11H,2-5,8-9,12H2,1H3
InChIKeySAFDTQCOBVQMKB-UHFFFAOYSA-N
XLogP2.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole?
The IUPAC name of 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole (CID 95909409) is 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole is CCOc1ccc2ncn(CN3CCCCC3)c2c1.
What is the InChIKey of 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole?
The InChIKey is SAFDTQCOBVQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-13-6-7-14-15(10-13)18(11-16-14)12-17-8-4-3-5-9-17/h6-7,10-11H,2-5,8-9,12H2,1H3.
What are the key properties of 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole?
6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole has a molecular weight of 259.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 95909409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).