N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C22H26N4O3 — CID 34804322

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-3-23-21(27)14-25(4-2)22(28)15-26-19-13-9-8-12-18(19)24-20(26)16-29-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)
InChIKeyZMCJOGRAOKLAMM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.60
Rot. Bonds9

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 34804322) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID34804322
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-3-23-21(27)14-25(4-2)22(28)15-26-19-13-9-8-12-18(19)24-20(26)16-29-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)
InChIKeyZMCJOGRAOKLAMM-UHFFFAOYSA-N
XLogP2.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015482
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998268
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16998160
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998161
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51254864
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 34804322) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is CCNC(=O)CN(CC)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZMCJOGRAOKLAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-23-21(27)14-25(4-2)22(28)15-26-19-13-9-8-12-18(19)24-20(26)16-29-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 34804322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).