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

C20H21N3O4 — CID 16976330

IUPACmethyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-26-17-10-6-3-7-14(17)20(25)21-12-11-18-22-15-8-4-5-9-16(15)23(18)13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyYOXWAATWAPABRL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.19
Rot. Bonds7

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

methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (PubChem CID 16976330) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
PubChem CID16976330
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-26-17-10-6-3-7-14(17)20(25)21-12-11-18-22-15-8-4-5-9-16(15)23(18)13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKeyYOXWAATWAPABRL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976328
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (CID 16976330) is methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The InChIKey is YOXWAATWAPABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-17-10-6-3-7-14(17)20(25)21-12-11-18-22-15-8-4-5-9-16(15)23(18)13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate has a molecular weight of 367.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16976330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).