ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate

C20H21N3O3 — CID 17006923

IUPACethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H21N3O3/c1-3-26-19(24)13-23-17-11-7-6-10-16(17)22-18(23)12-21-20(25)15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,21,25)
InChIKeyIKZUCWJCPHUTPG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.84
Rot. Bonds6

About ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate

ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate (PubChem CID 17006923) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
PubChem CID17006923
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H21N3O3/c1-3-26-19(24)13-23-17-11-7-6-10-16(17)22-18(23)12-21-20(25)15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,21,25)
InChIKeyIKZUCWJCPHUTPG-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate (CID 17006923) is ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(CNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The InChIKey is IKZUCWJCPHUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-19(24)13-23-17-11-7-6-10-16(17)22-18(23)12-21-20(25)15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate has a molecular weight of 351.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17006923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).