ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate

C20H21N3O4 — CID 17008827

IUPACethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-27-19(24)13-23-17-7-5-4-6-16(17)22-18(23)12-21-20(25)14-8-10-15(26-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,25)
InChIKeyHIRWUIHXRRHKGA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.54
Rot. Bonds7

About ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate

ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate (PubChem CID 17008827) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
PubChem CID17008827
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-27-19(24)13-23-17-7-5-4-6-16(17)22-18(23)12-21-20(25)14-8-10-15(26-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,25)
InChIKeyHIRWUIHXRRHKGA-UHFFFAOYSA-N
XLogP2.54
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate (CID 17008827) is ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The InChIKey is HIRWUIHXRRHKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-27-19(24)13-23-17-7-5-4-6-16(17)22-18(23)12-21-20(25)14-8-10-15(26-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate has a molecular weight of 367.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17008827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).