N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide

C19H21N3O2 — CID 2989208

IUPACN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(23)20-12-11-19-21-17-9-5-6-10-18(17)22(19)13-14-24-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyUDKDAHHFVFOFHJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 2989208) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID2989208
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(23)20-12-11-19-21-17-9-5-6-10-18(17)22(19)13-14-24-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyUDKDAHHFVFOFHJ-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide (CID 2989208) is N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is UDKDAHHFVFOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(23)20-12-11-19-21-17-9-5-6-10-18(17)22(19)13-14-24-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 2989208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).