1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole

C20H23N3O — CID 57400501

IUPAC1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole
SMILESc1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2
InChIKeyYKMYFJKVCCQVAY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole

1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole (PubChem CID 57400501) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole
PubChem CID57400501
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole
SMILESc1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2
InChIKeyYKMYFJKVCCQVAY-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole?
The IUPAC name of 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole (CID 57400501) is 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole?
The canonical SMILES for 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole is c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole?
The InChIKey is YKMYFJKVCCQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2.
What are the key properties of 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole?
1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole has a molecular weight of 321.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-piperidin-3-ylbenzimidazole is sourced from PubChem (CID 57400501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).