3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid

C18H18N2O2 — CID 82144764

IUPAC3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c21-18(22)12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22)
InChIKeyYLIQZOIUDKGAHR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.30
Rot. Bonds6

About 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid

3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82144764) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
PubChem CID82144764
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c21-18(22)12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22)
InChIKeyYLIQZOIUDKGAHR-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
3-[2-[2-(2,2-difluoroethoxy)ethyl]benzimidazol-1-yl]propanoic acid
CID 103208934
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
CID 23148423

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid (CID 82144764) is 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid is O=C(O)CCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is YLIQZOIUDKGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(22)12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22).
What are the key properties of 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid?
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82144764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).