N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide

C21H24N4O4 — CID 17029032

IUPACN-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(CNC(=O)COC)nc3ccccc32)cc1
InChIInChI=1S/C21H24N4O4/c1-3-29-16-10-8-15(9-11-16)23-20(26)13-25-18-7-5-4-6-17(18)24-19(25)12-22-21(27)14-28-2/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyJTPNIOYAEBCQJC-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.34
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide (PubChem CID 17029032) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
PubChem CID17029032
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(CNC(=O)COC)nc3ccccc32)cc1
InChIInChI=1S/C21H24N4O4/c1-3-29-16-10-8-15(9-11-16)23-20(26)13-25-18-7-5-4-6-17(18)24-19(25)12-22-21(27)14-28-2/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyJTPNIOYAEBCQJC-UHFFFAOYSA-N
XLogP2.34
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228
N-(4-ethoxyphenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032408
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
2-(2-ethylbenzimidazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46674253
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide (CID 17029032) is N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2c(CNC(=O)COC)nc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The InChIKey is JTPNIOYAEBCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-3-29-16-10-8-15(9-11-16)23-20(26)13-25-18-7-5-4-6-17(18)24-19(25)12-22-21(27)14-28-2/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17029032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).