2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid

C15H18N2O4 — CID 82334641

IUPAC2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
SMILESCCOc1ccc2c(c1)nc(CC(=O)O)n2CCC(C)=O
InChIInChI=1S/C15H18N2O4/c1-3-21-11-4-5-13-12(8-11)16-14(9-15(19)20)17(13)7-6-10(2)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyFNEFLXCJYGESMT-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.04
Rot. Bonds7

About 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid

2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid (PubChem CID 82334641) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
PubChem CID82334641
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
SMILESCCOc1ccc2c(c1)nc(CC(=O)O)n2CCC(C)=O
InChIInChI=1S/C15H18N2O4/c1-3-21-11-4-5-13-12(8-11)16-14(9-15(19)20)17(13)7-6-10(2)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyFNEFLXCJYGESMT-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
3-[1-(2-hydroxyethyl)-5-propoxybenzimidazol-2-yl]propanoic acid
CID 82334985
3-[5-chloro-1-(3-oxobutyl)benzimidazol-2-yl]propanoic acid
CID 82332498
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 82334654
4-[2-(1-chloroethyl)-5-methoxybenzimidazol-1-yl]butan-2-one
CID 82334571

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid (CID 82334641) is 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid is CCOc1ccc2c(c1)nc(CC(=O)O)n2CCC(C)=O.
What is the InChIKey of 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid?
The InChIKey is FNEFLXCJYGESMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-21-11-4-5-13-12(8-11)16-14(9-15(19)20)17(13)7-6-10(2)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid?
2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid is sourced from PubChem (CID 82334641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).