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

C20H21N3O4 — CID 17009764

IUPACmethyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-13(21-20(25)14-8-10-15(26-2)11-9-14)19-22-16-6-4-5-7-17(16)23(19)12-18(24)27-3/h4-11,13H,12H2,1-3H3,(H,21,25)
InChIKeyWULCMLPDWOWYLT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.71
Rot. Bonds6

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

methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (PubChem CID 17009764) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
PubChem CID17009764
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-13(21-20(25)14-8-10-15(26-2)11-9-14)19-22-16-6-4-5-7-17(16)23(19)12-18(24)27-3/h4-11,13H,12H2,1-3H3,(H,21,25)
InChIKeyWULCMLPDWOWYLT-UHFFFAOYSA-N
XLogP2.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009747
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010239
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (CID 17009764) is methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The InChIKey is WULCMLPDWOWYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(21-20(25)14-8-10-15(26-2)11-9-14)19-22-16-6-4-5-7-17(16)23(19)12-18(24)27-3/h4-11,13H,12H2,1-3H3,(H,21,25).
What are the key properties of methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate has a molecular weight of 367.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17009764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).