2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid

C13H14N2O5 — CID 62300427

IUPAC2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid
SMILESCn1c(=O)n(C)c2cc(C(=O)COCC(=O)O)ccc21
InChIInChI=1S/C13H14N2O5/c1-14-9-4-3-8(5-10(9)15(2)13(14)19)11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyYPPGFYLDWFUDRG-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.16
Rot. Bonds5

About 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid

2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid (PubChem CID 62300427) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid
PubChem CID62300427
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid
SMILESCn1c(=O)n(C)c2cc(C(=O)COCC(=O)O)ccc21
InChIInChI=1S/C13H14N2O5/c1-14-9-4-3-8(5-10(9)15(2)13(14)19)11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyYPPGFYLDWFUDRG-UHFFFAOYSA-N
XLogP0.16
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
CID 82498508
1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one
CID 114874045
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
2-[2-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)-2-oxoethoxy]acetic acid
CID 63097481
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoacetate
CID 112616455
5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 71264426
(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylpent-2-enoic acid
CID 82124114
5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 110801795
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
CID 11575101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid (CID 62300427) is 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid is Cn1c(=O)n(C)c2cc(C(=O)COCC(=O)O)ccc21.
What is the InChIKey of 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid?
The InChIKey is YPPGFYLDWFUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-14-9-4-3-8(5-10(9)15(2)13(14)19)11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid?
2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 62300427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).