methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate

C19H21N3O5 — CID 30040389

IUPACmethyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)oc1C
InChIInChI=1S/C19H21N3O5/c1-12-14(18(24)26-4)9-13(27-12)10-20(2)17(23)11-22-16-8-6-5-7-15(16)21(3)19(22)25/h5-9H,10-11H2,1-4H3
InChIKeyVJAHKRPANAFWNS-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate (PubChem CID 30040389) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate
PubChem CID30040389
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)oc1C
InChIInChI=1S/C19H21N3O5/c1-12-14(18(24)26-4)9-13(27-12)10-20(2)17(23)11-22-16-8-6-5-7-15(16)21(3)19(22)25/h5-9H,10-11H2,1-4H3
InChIKeyVJAHKRPANAFWNS-UHFFFAOYSA-N
XLogP1.69
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 134016311
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310
methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 31859236
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43035572
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[[2-(4-acetamidophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34483785
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate (CID 30040389) is methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate?
The InChIKey is VJAHKRPANAFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-14(18(24)26-4)9-13(27-12)10-20(2)17(23)11-22-16-8-6-5-7-15(16)21(3)19(22)25/h5-9H,10-11H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 30040389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).