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

C21H25N3O2 — CID 993357

IUPAC2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(25)22-13-12-20-23-18-10-6-7-11-19(18)24(20)14-15-26-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyADVLEJGYPUDOIE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.43
Rot. Bonds8

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

2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 993357) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID993357
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(25)22-13-12-20-23-18-10-6-7-11-19(18)24(20)14-15-26-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyADVLEJGYPUDOIE-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide (CID 993357) is 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide is CC(C)C(=O)NCCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is ADVLEJGYPUDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)21(25)22-13-12-20-23-18-10-6-7-11-19(18)24(20)14-15-26-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 993357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).