4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid

C20H14N2O3 — CID 57424060

IUPAC4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H14N2O3/c23-16-11-9-15(10-12-16)22-18-4-2-1-3-17(18)21-19(22)13-5-7-14(8-6-13)20(24)25/h1-12,23H,(H,24,25)
InChIKeyWZKZQVDULAMKJC-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.10
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid

4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid (PubChem CID 57424060) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
PubChem CID57424060
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H14N2O3/c23-16-11-9-15(10-12-16)22-18-4-2-1-3-17(18)21-19(22)13-5-7-14(8-6-13)20(24)25/h1-12,23H,(H,24,25)
InChIKeyWZKZQVDULAMKJC-UHFFFAOYSA-N
XLogP4.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
CID 132528735
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid?
The IUPAC name of 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid (CID 57424060) is 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid?
The InChIKey is WZKZQVDULAMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-16-11-9-15(10-12-16)22-18-4-2-1-3-17(18)21-19(22)13-5-7-14(8-6-13)20(24)25/h1-12,23H,(H,24,25).
What are the key properties of 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid?
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid has a molecular weight of 330.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid is sourced from PubChem (CID 57424060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).