4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid

C17H14N2O3 — CID 5063672

IUPAC4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O3/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)18-17(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKeyHCOKQGJPVMNSFY-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds4

About 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid

4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid (PubChem CID 5063672) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
PubChem CID5063672
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O3/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)18-17(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKeyHCOKQGJPVMNSFY-UHFFFAOYSA-N
XLogP3.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-phenyl-1-(1-phenylethenyl)benzimidazole
CID 15370505
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 135122097
1-hydroxy-2-phenylbenzimidazole
CID 606555
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid (CID 5063672) is 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid is O=C(O)CCC(=O)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid?
The InChIKey is HCOKQGJPVMNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)18-17(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22).
What are the key properties of 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid?
4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 5063672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).