2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid

C14H18N2O3 — CID 63107309

IUPAC2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1c(CC)nc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-3-13-15-10-7-5-6-8-11(10)16(13)9-12(14(17)18)19-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQGNNBRNZGDLXIV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds6

About 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid

2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid (PubChem CID 63107309) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
PubChem CID63107309
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1c(CC)nc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-3-13-15-10-7-5-6-8-11(10)16(13)9-12(14(17)18)19-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQGNNBRNZGDLXIV-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63106183
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63902276
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
CID 65014548
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
CID 65011810

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid (CID 63107309) is 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid is CCOC(Cn1c(CC)nc2ccccc21)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid?
The InChIKey is QGNNBRNZGDLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-13-15-10-7-5-6-8-11(10)16(13)9-12(14(17)18)19-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid?
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 63107309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).