N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide

C13H17N3O3 — CID 139451767

IUPACN-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2nc(OC)n(CCNC(C)=O)c2c1
InChIInChI=1S/C13H17N3O3/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyOSKMTHQTYBZVLY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide

N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide (PubChem CID 139451767) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
PubChem CID139451767
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2nc(OC)n(CCNC(C)=O)c2c1
InChIInChI=1S/C13H17N3O3/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyOSKMTHQTYBZVLY-UHFFFAOYSA-N
XLogP1.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide (CID 139451767) is N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide is COc1ccc2nc(OC)n(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is OSKMTHQTYBZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139451767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).