2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

C21H24N4O3 — CID 16969289

IUPAC2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-15(22-19(26)14-28-3)21-23-17-11-7-8-12-18(17)25(21)13-20(27)24(2)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,22,26)
InChIKeyMSXIIIDHEOQIKA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 16969289) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID16969289
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-15(22-19(26)14-28-3)21-23-17-11-7-8-12-18(17)25(21)13-20(27)24(2)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,22,26)
InChIKeyMSXIIIDHEOQIKA-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972964
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
CID 17030013
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
N-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (CID 16969289) is 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is COCC(=O)NC(C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is MSXIIIDHEOQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(22-19(26)14-28-3)21-23-17-11-7-8-12-18(17)25(21)13-20(27)24(2)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,22,26).
What are the key properties of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 380.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 16969289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).