N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide

C19H21N3O2 — CID 698993

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-8-17(14(2)11-13)24-12-19(23)20-10-9-18-21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHTCGCOUGPHRKAU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 698993) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID698993
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-8-17(14(2)11-13)24-12-19(23)20-10-9-18-21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHTCGCOUGPHRKAU-UHFFFAOYSA-N
XLogP2.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
CID 1183113
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
N-(2-(pyrrolidin-1-yl)-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11153928
N-(2-(isopropylamino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11188955
5-tert-Butyl-2-{3-methyl-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
CID 11189343
N-(1-methyl-2-(pyrrolidin-1-yl)-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11281523
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 16665072
4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
CID 135674167

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide (CID 698993) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is HTCGCOUGPHRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-7-8-17(14(2)11-13)24-12-19(23)20-10-9-18-21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 698993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).