2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate

C20H29N3O3 — CID 121452088

IUPAC2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate
SMILESCCOCCn1c(C2CCN(CCOC(C)=O)CC2)nc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-25-14-13-23-19-7-5-4-6-18(19)21-20(23)17-8-10-22(11-9-17)12-15-26-16(2)24/h4-7,17H,3,8-15H2,1-2H3
InChIKeyPXUXSVNSQMDJLV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.82
Rot. Bonds8

About 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate

2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate (PubChem CID 121452088) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate
PubChem CID121452088
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate
SMILESCCOCCn1c(C2CCN(CCOC(C)=O)CC2)nc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-25-14-13-23-19-7-5-4-6-18(19)21-20(23)17-8-10-22(11-9-17)12-15-26-16(2)24/h4-7,17H,3,8-15H2,1-2H3
InChIKeyPXUXSVNSQMDJLV-UHFFFAOYSA-N
XLogP2.82
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate (CID 121452088) is 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate is CCOCCn1c(C2CCN(CCOC(C)=O)CC2)nc2ccccc21.
What is the InChIKey of 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate?
The InChIKey is PXUXSVNSQMDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-25-14-13-23-19-7-5-4-6-18(19)21-20(23)17-8-10-22(11-9-17)12-15-26-16(2)24/h4-7,17H,3,8-15H2,1-2H3.
What are the key properties of 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate?
2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate has a molecular weight of 359.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 121452088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).