2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole

C21H25N3O — CID 112828549

IUPAC2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25N3O/c1-3-9-18(10-4-1)25-17-21-22-19-11-5-6-12-20(19)24(21)16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2
InChIKeyHWINWYAZKFSRSF-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.10
Rot. Bonds6

About 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole

2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole (PubChem CID 112828549) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
PubChem CID112828549
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25N3O/c1-3-9-18(10-4-1)25-17-21-22-19-11-5-6-12-20(19)24(21)16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2
InChIKeyHWINWYAZKFSRSF-UHFFFAOYSA-N
XLogP4.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[3-(azepan-1-yl)propyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 18885665

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole (CID 112828549) is 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole is c1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The InChIKey is HWINWYAZKFSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-9-18(10-4-1)25-17-21-22-19-11-5-6-12-20(19)24(21)16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2.
What are the key properties of 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 112828549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).