2-(2-phenylbenzimidazol-1-yl)oxyacetic acid

C15H12N2O3 — CID 1483105

IUPAC2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESO=C(O)COn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-14(19)10-20-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyAWCBWBIRRVFDRG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid

2-(2-phenylbenzimidazol-1-yl)oxyacetic acid (PubChem CID 1483105) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
PubChem CID1483105
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESO=C(O)COn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-14(19)10-20-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyAWCBWBIRRVFDRG-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 10245690
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
(2-phenylbenzimidazol-1-yl) hypochlorite
CID 68724348
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
CID 5063672
1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
CID 69420518
2-phenyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 3710716
1-hydroxy-2-phenylbenzimidazole
CID 606555
2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
CID 3809277
prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate
CID 3260820
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid?
The IUPAC name of 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid (CID 1483105) is 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid?
The canonical SMILES for 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid is O=C(O)COn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid?
The InChIKey is AWCBWBIRRVFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14(19)10-20-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid?
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid has a molecular weight of 268.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylbenzimidazol-1-yl)oxyacetic acid is sourced from PubChem (CID 1483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).