N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

C26H21N3O2 — CID 1342604

IUPACN-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1
InChIInChI=1S/C26H21N3O2/c1-17-6-2-5-9-24(17)31-16-25(30)27-21-12-10-18(11-13-21)26-28-22-14-19-7-3-4-8-20(19)15-23(22)29-26/h2-15H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyQRNRJAVZKGCZLS-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.71
Rot. Bonds5

About N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1342604) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1342604
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1
InChIInChI=1S/C26H21N3O2/c1-17-6-2-5-9-24(17)31-16-25(30)27-21-12-10-18(11-13-21)26-28-22-14-19-7-3-4-8-20(19)15-23(22)29-26/h2-15H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyQRNRJAVZKGCZLS-UHFFFAOYSA-N
XLogP5.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 1342604) is N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is QRNRJAVZKGCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-17-6-2-5-9-24(17)31-16-25(30)27-21-12-10-18(11-13-21)26-28-22-14-19-7-3-4-8-20(19)15-23(22)29-26/h2-15H,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 407.47 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1342604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).