2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

C24H22ClN3O2 — CID 16997147

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-2-27(19-8-4-3-5-9-19)24(29)16-28-22-11-7-6-10-21(22)26-23(28)17-30-20-14-12-18(25)13-15-20/h3-15H,2,16-17H2,1H3
InChIKeyDZGUMEYAQAEPDC-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.32
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (PubChem CID 16997147) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
PubChem CID16997147
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-2-27(19-8-4-3-5-9-19)24(29)16-28-22-11-7-6-10-21(22)26-23(28)17-30-20-14-12-18(25)13-15-20/h3-15H,2,16-17H2,1H3
InChIKeyDZGUMEYAQAEPDC-UHFFFAOYSA-N
XLogP5.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998698
N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16997253
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 23905961
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 112803907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (CID 16997147) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is DZGUMEYAQAEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-2-27(19-8-4-3-5-9-19)24(29)16-28-22-11-7-6-10-21(22)26-23(28)17-30-20-14-12-18(25)13-15-20/h3-15H,2,16-17H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 419.91 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 16997147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).