2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C22H26N4O3 — CID 17006636

IUPAC2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C22H26N4O3/c1-16(2)26(17-9-5-4-6-10-17)22(28)14-25-19-12-8-7-11-18(19)24-20(25)13-23-21(27)15-29-3/h4-12,16H,13-15H2,1-3H3,(H,23,27)
InChIKeyPQAVXPXWTIVFIJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.74
Rot. Bonds8

About 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 17006636) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID17006636
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C22H26N4O3/c1-16(2)26(17-9-5-4-6-10-17)22(28)14-25-19-12-8-7-11-18(19)24-20(25)13-23-21(27)15-29-3/h4-12,16H,13-15H2,1-3H3,(H,23,27)
InChIKeyPQAVXPXWTIVFIJ-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16988433
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008651
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16996200
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
2-[2-[5-[[2-(2,5-dimethylphenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16993131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 17006636) is 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is COCC(=O)NCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is PQAVXPXWTIVFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(2)26(17-9-5-4-6-10-17)22(28)14-25-19-12-8-7-11-18(19)24-20(25)13-23-21(27)15-29-3/h4-12,16H,13-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 394.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 17006636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).