methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate

C11H12N2O3 — CID 22745227

IUPACmethyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
SMILESCOC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-16-10(14)5-3-7-2-4-8-9(6-7)13-11(15)12-8/h2,4,6H,3,5H2,1H3,(H2,12,13,15)
InChIKeyFTRAIGJXDDMAFW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.96
Rot. Bonds3

About methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate

methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate (PubChem CID 22745227) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
PubChem CID22745227
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
SMILESCOC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-16-10(14)5-3-7-2-4-8-9(6-7)13-11(15)12-8/h2,4,6H,3,5H2,1H3,(H2,12,13,15)
InChIKeyFTRAIGJXDDMAFW-UHFFFAOYSA-N
XLogP0.96
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
CID 67175600
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
methyl 3-[2-(chloromethyl)-3H-benzimidazol-5-yl]propanoate
CID 122513917
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate (CID 22745227) is methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate is COC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate?
The InChIKey is FTRAIGJXDDMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-10(14)5-3-7-2-4-8-9(6-7)13-11(15)12-8/h2,4,6H,3,5H2,1H3,(H2,12,13,15).
What are the key properties of methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate?
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate has a molecular weight of 220.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate is sourced from PubChem (CID 22745227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).