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

C12H15N3O3 — CID 164623318

IUPACN-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(=O)n(CCNC(C)=O)c2c1
InChIInChI=1S/C12H15N3O3/c1-8(16)13-5-6-15-11-7-9(18-2)3-4-10(11)14-12(15)17/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZYWDVZBYMVLQLH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.47
Rot. Bonds4

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

N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide (PubChem CID 164623318) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
PubChem CID164623318
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(=O)n(CCNC(C)=O)c2c1
InChIInChI=1S/C12H15N3O3/c1-8(16)13-5-6-15-11-7-9(18-2)3-4-10(11)14-12(15)17/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZYWDVZBYMVLQLH-UHFFFAOYSA-N
XLogP0.47
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide (CID 164623318) is N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide is COc1ccc2[nH]c(=O)n(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The InChIKey is ZYWDVZBYMVLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)13-5-6-15-11-7-9(18-2)3-4-10(11)14-12(15)17/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 164623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).