methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate

C20H21N3O5 — CID 17008513

IUPACmethyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H21N3O5/c1-26-16-9-8-13(10-17(16)27-2)20(25)21-11-18-22-14-6-4-5-7-15(14)23(18)12-19(24)28-3/h4-10H,11-12H2,1-3H3,(H,21,25)
InChIKeyYWONGLODKLGGEL-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.16
Rot. Bonds7

About methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate

methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate (PubChem CID 17008513) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
PubChem CID17008513
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H21N3O5/c1-26-16-9-8-13(10-17(16)27-2)20(25)21-11-18-22-14-6-4-5-7-15(14)23(18)12-19(24)28-3/h4-10H,11-12H2,1-3H3,(H,21,25)
InChIKeyYWONGLODKLGGEL-UHFFFAOYSA-N
XLogP2.16
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008409
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983903

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate (CID 17008513) is methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The InChIKey is YWONGLODKLGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-16-9-8-13(10-17(16)27-2)20(25)21-11-18-22-14-6-4-5-7-15(14)23(18)12-19(24)28-3/h4-10H,11-12H2,1-3H3,(H,21,25).
What are the key properties of methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate has a molecular weight of 383.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17008513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).