N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

C18H19N3O2 — CID 2583301

IUPACN-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C18H19N3O2/c1-11-8-12(2)17(13(3)9-11)23-10-16(22)21-18-19-14-6-4-5-7-15(14)20-18/h4-9H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyQRDBWCVAVXZWHO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 2583301) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID2583301
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C18H19N3O2/c1-11-8-12(2)17(13(3)9-11)23-10-16(22)21-18-19-14-6-4-5-7-15(14)20-18/h4-9H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyQRDBWCVAVXZWHO-UHFFFAOYSA-N
XLogP3.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 2583301) is N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is QRDBWCVAVXZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-8-12(2)17(13(3)9-11)23-10-16(22)21-18-19-14-6-4-5-7-15(14)20-18/h4-9H,10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 2583301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).