methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate

C18H17N3O4 — CID 26067711

IUPACmethyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H17N3O4/c1-20-14-9-5-6-10-15(14)21(18(20)24)11-16(22)19-13-8-4-3-7-12(13)17(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFRIWRCPSYGQCAG-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate (PubChem CID 26067711) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
PubChem CID26067711
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H17N3O4/c1-20-14-9-5-6-10-15(14)21(18(20)24)11-16(22)19-13-8-4-3-7-12(13)17(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFRIWRCPSYGQCAG-UHFFFAOYSA-N
XLogP1.77
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55495817
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18141663
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
N-(2-cyclopentyloxyphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55807750
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15994277
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate (CID 26067711) is methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate?
The InChIKey is FRIWRCPSYGQCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-20-14-9-5-6-10-15(14)21(18(20)24)11-16(22)19-13-8-4-3-7-12(13)17(23)25-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate has a molecular weight of 339.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 26067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).