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

C23H28N4O3 — CID 17006654

IUPACN-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C23H28N4O3/c1-17(2)26(14-18-9-5-4-6-10-18)23(29)15-27-20-12-8-7-11-19(20)25-21(27)13-24-22(28)16-30-3/h4-12,17H,13-16H2,1-3H3,(H,24,28)
InChIKeyMGPVBIVXRDUMKZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.74
Rot. Bonds9

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

N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17006654) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17006654
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C23H28N4O3/c1-17(2)26(14-18-9-5-4-6-10-18)23(29)15-27-20-12-8-7-11-19(20)25-21(27)13-24-22(28)16-30-3/h4-12,17H,13-16H2,1-3H3,(H,24,28)
InChIKeyMGPVBIVXRDUMKZ-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 16968992
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-benzyl-N-propan-2-ylacetamide
CID 17006031
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006337
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008981
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16984078
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987176
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 16978211

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17006654) is N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is COCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MGPVBIVXRDUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(2)26(14-18-9-5-4-6-10-18)23(29)15-27-20-12-8-7-11-19(20)25-21(27)13-24-22(28)16-30-3/h4-12,17H,13-16H2,1-3H3,(H,24,28).
What are the key properties of N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 408.50 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17006654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).