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

C22H19N3O2 — CID 1369927

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-6-2-5-9-20(15)27-14-21(26)23-17-12-10-16(11-13-17)22-24-18-7-3-4-8-19(18)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLKJORHPGONBCHV-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.56
Rot. Bonds5

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1369927) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1369927
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-6-2-5-9-20(15)27-14-21(26)23-17-12-10-16(11-13-17)22-24-18-7-3-4-8-19(18)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLKJORHPGONBCHV-UHFFFAOYSA-N
XLogP4.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 168555046
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-(2-methylphenoxy)acetamide
CID 29043701
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 1369927) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is LKJORHPGONBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-6-2-5-9-20(15)27-14-21(26)23-17-12-10-16(11-13-17)22-24-18-7-3-4-8-19(18)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1369927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).