4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid

C20H20N2O3 — CID 141493646

IUPAC4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid
SMILESCC(C)(C)c1cc(-c2cnc(-c3ccc(C(=O)O)cc3)[nH]2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-20(2,3)15-10-14(8-9-17(15)23)16-11-21-18(22-16)12-4-6-13(7-5-12)19(24)25/h4-11,23H,1-3H3,(H,21,22)(H,24,25)
InChIKeyZCFSQFJZZWPUHB-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.45
Rot. Bonds3

About 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid

4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid (PubChem CID 141493646) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid
PubChem CID141493646
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid
SMILESCC(C)(C)c1cc(-c2cnc(-c3ccc(C(=O)O)cc3)[nH]2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-20(2,3)15-10-14(8-9-17(15)23)16-11-21-18(22-16)12-4-6-13(7-5-12)19(24)25/h4-11,23H,1-3H3,(H,21,22)(H,24,25)
InChIKeyZCFSQFJZZWPUHB-UHFFFAOYSA-N
XLogP4.45
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)benzoic acid
CID 57290207
4-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 116879025
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
CID 174633660
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1H-imidazole
CID 141144375
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
CID 69483664
N-[4-[5-[3-[2-[4-(3,3-dimethylbutanoylamino)phenyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]-3,3-dimethylbutanamide
CID 144664678
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
2,6-ditert-butyl-4-(2-methylsulfonyl-1H-imidazol-5-yl)phenol
CID 13107030
2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
CID 174426614

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid (CID 141493646) is 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid is CC(C)(C)c1cc(-c2cnc(-c3ccc(C(=O)O)cc3)[nH]2)ccc1O.
What is the InChIKey of 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid?
The InChIKey is ZCFSQFJZZWPUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2,3)15-10-14(8-9-17(15)23)16-11-21-18(22-16)12-4-6-13(7-5-12)19(24)25/h4-11,23H,1-3H3,(H,21,22)(H,24,25).
What are the key properties of 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid?
4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid has a molecular weight of 336.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 141493646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).