2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide

C17H23N3O3 — CID 118771670

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide
SMILESCc1ccc2nc(COCC(=O)NCCC3CCOC3)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-12-2-3-14-15(8-12)20-16(19-14)10-23-11-17(21)18-6-4-13-5-7-22-9-13/h2-3,8,13H,4-7,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyDYXHBKNJBKJGIV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.93
Rot. Bonds7

About 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide (PubChem CID 118771670) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide
PubChem CID118771670
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide
SMILESCc1ccc2nc(COCC(=O)NCCC3CCOC3)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-12-2-3-14-15(8-12)20-16(19-14)10-23-11-17(21)18-6-4-13-5-7-22-9-13/h2-3,8,13H,4-7,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyDYXHBKNJBKJGIV-UHFFFAOYSA-N
XLogP1.93
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide (CID 118771670) is 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide is Cc1ccc2nc(COCC(=O)NCCC3CCOC3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide?
The InChIKey is DYXHBKNJBKJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-2-3-14-15(8-12)20-16(19-14)10-23-11-17(21)18-6-4-13-5-7-22-9-13/h2-3,8,13H,4-7,9-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide is sourced from PubChem (CID 118771670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).