N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide

C23H21N3O2 — CID 993353

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c27-23(17-28-19-11-5-2-6-12-19)24-15-22-25-20-13-7-8-14-21(20)26(22)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,27)
InChIKeyKFFHBHJIZFQLPL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.78
Rot. Bonds7

About N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide

N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide (PubChem CID 993353) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
PubChem CID993353
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c27-23(17-28-19-11-5-2-6-12-19)24-15-22-25-20-13-7-8-14-21(20)26(22)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,27)
InChIKeyKFFHBHJIZFQLPL-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16970939
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992872
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide (CID 993353) is N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The InChIKey is KFFHBHJIZFQLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(17-28-19-11-5-2-6-12-19)24-15-22-25-20-13-7-8-14-21(20)26(22)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,27).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 993353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).